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Home> Encyclopedia > Hot Product Listed 4   > 4-(Benzo[d]thiazol-2-ylthio)morpholine
102-77-2 structure

4-(Benzo[d]thiazol-2-ylthio)morpholine

Iupac Name:4-(1,3-benzothiazol-2-ylsulfanyl)morpholine
CAS No.:102-77-2
EINECS(EC#): 203-052-4
Molecular Weight:252.35600
Molecular Formula:C11H12N2OS2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2
InChkey
MHKLKWCYGIBEQF-UHFFFAOYSA-N
Canonical Smiles
C1COCCN1SC2=NC3=CC=CC=C3S2
Properties
Appearance
COA
Density
1.34-1.40
Melting Point
78-80°C
Boiling Point
413.1ºC at 760 mmHg
Vapour
2.92E-08mmHg at 25°C
Refractive Index
1.703
Flash Point
203.6ºC
Solubility
INSOL IN WATER, SOL IN BENZENE, ACETONE, METHANOL
Color/Form
BUFF TO BROWN FLAKES
TAN-COLORED POWDER
HS Code
2934200090
Safety and Handling
Hazard Codes
Xi; N
Risk Statements
R22
Safety Statements
S20/21; S36; S61; S37; S26; S24
Safety

Safety Information of 2-(4-Morpholino)thiobenzothiazole (CAS NO. 102-77-2):
Hazard Codes: Xi?Irritant,N?Dangerous
Risk Statements: 22-51/53-43-36/38
R22:Harmful if swallowed
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
R43:May cause sensitization by skin contact
R36/38:Irritating to eyes and skin
Safety Statements: 20/21-36-61-37-26-24
S20:When using, do not eat or drink
S21:When using do not smoke
S36:Wear suitable protective clothing
S61:Avoid release to the environment. Refer to special instructions / safety data sheets
S37:Wear suitable gloves
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S24:Avoid contact with skin
RIDADR: 3077
RTECS: DL5950000
Poison by intraperitoneal route. Moderately toxic by ingestion. Questionable carcinogen with experimental neoplastigenic data. Experimental teratogenic effects. An eye irritant. Mutation data reported. See also MERCAPTANS and SULFIDES. When heated to decomposition it emits very toxic fumes of NOx and SOx.

Toxicity
1. ???

eye-rbt 100?mg/24H MOD

??? 85JCAE ?? Prehled Prumyslove Toxikologie; Organicke Latky .Marhold, J.,Prague,Czechoslovakia, Avicenum.:?1986,1099.
2. ???

dnr-esc 10?μg/tube

??? ENMUDM ?? Environmental Mutagenesis. 5 (1983),193.
3. ???

mma-mus:lym 15?mg/L

??? ENMUDM ?? Environmental Mutagenesis. 5 (1983),193.
4. ???

otr-mus:emb 200?μg/L

??? ENMUDM ?? Environmental Mutagenesis. 5 (1983),193.
5. ???

msc-mus:lym 10?mg/L

??? ENMUDM ?? Environmental Mutagenesis. 5 (1983),193.
6. ???

orl-rat LD50:1980?mg/kg

??? IPSTB3 ?? International Polymer Science and Technology. 3 (1976),93.
7. ???

orl-mus LD50:1870?mg/kg

??? 20ZJAG ?? Toksikologiia Novykh Khimicheskikh Veshchesty, Vnedriaemykh V . Rezinovuiu I Shinnaiu Promyshlennost,1968,64. NTIS** ?? National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 .
Transport
3077
Specification

? 2-(4-Morpholino)thiobenzothiazole?with cas registry number of 102-77-2 is also called?2-(Morpholinothio)benzothiazole ; 4-(2-Benzothiazolylthio)-morpholine ; N-Oxydiethylene-benzothiazolesulfenamide ; N-Oxydiethylenebenzothiazole-2-sulfenamide ;?Benzothiazole, 2-(morpholinothio)- .

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

Skin irritation, Category 2

Eye irritation, Category 2

Skin sensitization, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H317 May cause an allergic skin reaction

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

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

P273 Avoid release to the environment.

Response

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

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

P391 Collect spillage.

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:252.35600g/mol
  • Molecular Formula:C11H12N2OS2
  • Compound Is Canonicalized:True
  • Exact Mass:252.039
  • Monoisotopic Mass:252.039
  • Complexity:236
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:78.9A^2
  • Heavy Atom Count:16
  • 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: AAADccBzIABgAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgQAQAAACAjh1gYwwbIIFAik ASRiRACD8aBhCjhImDw4ZJgKIKLgkZGHIAhggADYyAcQAAAAAAAAAAAAAQAAAAAAAAACAAAAAAAA AA==
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