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Home> Encyclopedia > Hot Product Listed 1   > 1H-BENZOIMIDAZOLE-2-THIOL
583-39-1 structure

1H-BENZOIMIDAZOLE-2-THIOL

Iupac Name:1,3-dihydrobenzimidazole-2-thione
CAS No.:583-39-1
EINECS(EC#): 209-502-6
Molecular Weight:150.199
Molecular Formula:C7H6N2S (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
InChkey
YHMYGUUIMTVXNW-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)NC(=S)N2
Properties
Appearance
yellowish organic flammable viscous liquid
Density
1.39
Boiling Point
270.6°C at 760 mmHg
Vapour
0.00677mmHg at 25°C
Refractive Index
1.744
Flash Point
117.5°C
Solubility
Soluble in water
Color/Form
COLORLESS TO LIGHT-YELLOW LIQUID
Pale yellow, viscous liquid
Stability
Stable. Incompatible with strong oxidizing agents.
HS Code
29339910
Storage temp
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.
Spectral properties
Index of refraction: 1.486
Safety and Handling
Hazard Codes
Xn
Risk Statements
R22
Safety Statements
S24/25
Safety

Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. Skin and eye irritant. When heated to decomposition it emits toxic fumes of SOx and NOx. See also MERCAPTANS.
The Hazard Codes of 2-BENZIMIDAZOLETHIOL(583-39-1):? Xn
The Risk Statements information of 2-BENZIMIDAZOLETHIOL(583-39-1):
22:? Harmful if swallowed?
20/21/22:? Harmful by inhalation, in contact with skin and if swallowed?
36/37/38:? Irritating to eyes, respiratory system and skin?
The Safety Statements information of 2-BENZIMIDAZOLETHIOL(583-39-1):
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?
36:? Wear suitable protective clothing?
24/25:? Avoid contact with skin and eyes?

Toxicity
1. ???

skn-rbt 500?mg/24H MLD

??? 28ZPAK ?? Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku ,Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.:?1972,168.
2. ???

eye-rbt 500?mg/24H MLD

??? 28ZPAK ?? Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku ,Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.:?1972,168.
3. ???

orl-mus LD50:750?mg/kg

??? FRZKAP ?? Farmatsevtichnii Zhurnal (Kiev). 17 (1)(1962),36.
4. ???

ipr-mus LD50:200?mg/kg

??? NTIS** ?? National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 .
5. ???

ivn-mus LD50:180?mg/kg

??? CSLNX* ?? U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#04376 .
PackingGroup
III
Transport
UN 2811 6.1/PG 3
Fire Fighting Procedures
EXTINGUISH WITH DRY CHEM OR CARBON DIOXIDE. DO NOT USE WATER ON FIRE. COOL EXPOSED CONTAINERS WITH WATER.
Fire Potential
FLAMMABLE WHEN EXPOSED TO HEAT OR FLAME.
Formulations/Preparations
Grades of Purity: Technical
Reactivities and Incompatibilities
Incompatible with oxidizing materials.
Specification

The systematic name of Poly(titanium butoxide) is 1-Butanol, titanium(4+) salt (4:1), homopolymer. With the CAS registry number 9022-96-2, it is also named as Titanium tetrabutylate polymer. The product's categories are Polymers; Catalysis and Inorganic Chemistry; Chemical Synthesis; Titanium, and the other registry numbers are 102727-12-8; 129037-79-2; 133109-09-8; 597533-82-9; 9047-53-4. Besides, it is yellowish organic flammable viscous liquid, which should be stored in closed, dark, dry and ventilated place at room temperature. It also can dissolve in organic solvents such as isopropanol, butanol, ethyl acetate, isopropyl acetate, benzene and toluene and so on. 

The other characteristics of this product can be summarized as: (1)Melting point: -39 °C; (2)Flash point: 90 °F; (3)Boiling point: 3200-3500 °C ; (4)Density: 1.13 g/mL at 25 °C; (5)Vapor pressure: <0.8 mm Hg ( 20 °C); (6)Molecular Formula: (C16H36O4Ti)n.

Uses of Poly(titanium butoxide): this chemical is used as a good esterification and transesterification reactions catalyst with dosage 0.01% to 1%. It also can be applied to substrate surfaces as primer by improving adhesion of top coatings. Moreover, it is used to study the thermal properties of silicone coating KT-30.

When you are using this chemical, please be cautious about it as the following: Poly(titanium butoxide) is flammable and harmful if swallowed. Please keep away from sources of ignition. And it is risk of serious damage to the eyes. Its vapours also may cause drowsiness and dizziness. You should wear suitable gloves and eye/face protection when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)InChI: InChI=1/4C4H9O.Ti/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4
(2)Smiles: [Ti+4].C(CCC)[O-].C([O-])CCC.C(CCC)[O-].C(CCC)[O-]

Report

Reported in EPA TSCA Inventory.

Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin sensitization, Category 1

Specific target organ toxicity \u2013 repeated exposure, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H317 May cause an allergic skin reaction

H373 May cause damage to organs through prolonged or repeated exposure

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P314 Get medical advice/attention if you feel unwell.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:150.199g/mol
  • Molecular Formula:C7H6N2S
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.7
  • Exact Mass:150.025
  • Monoisotopic Mass:150.025
  • Complexity:142
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:56.2A^2
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBjAABAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHAQQAAAACAiBEAAxwILAAACE ACRCQACCAAAhAgkIiAAAdIiIYCLAkZGUIAhokAJIyCcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAA AA==
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