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Home> Hot Product Listed T   > Thiazole,2-(2,2-dimethylhydrazinyl)-4-(5-nitro-2-furanyl)-
455-14-1 structure

Thiazole,2-(2,2-dimethylhydrazinyl)-4-(5-nitro-2-furanyl)-

Iupac Name:4-(trifluoromethyl)aniline
CAS No.:455-14-1
Molecular Weight:161.12445
Molecular Formula:C13H27NS (isomer)
Names and Identifiers
Synonyms

1,1-dimethyl-2-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]hydrazine 2-(2,2-dimethylhydrazin-1-yl)-4-(5-nitrofuran-2-yl)-1,3-thiazole 2-(2,2-dimethylhydrazino)-4-(5-nitro-2-furyl)-1,3-thiazole 2-(2,2-dimethylhydrazino)-4-(5-nitro-2-furyl)thiazole 2-(2,2-dimethylhydrazino)-4-(5-nitrofuran-2-yl)-1,3-thiazole 2-(2,2-dimethylhydrazinyl)-4-(5-nitro-2-furyl)thiazole 2(3H)-Thiazolone,4-(5-nitro-2-furanyl)-, dimethylhydrazone (9CI) 4-(5-nitro-2-furanyl)-2-thiazolone dimethylhydrazone AC1L3NQ7 AC1Q217A acm26049694 brn 0544225 ccris 996 CHEMBL313879 dmnt DTXSID1020518 LS-7354 QXSIYYQGSPCIHN-UHFFFAOYSA-N thiazole, 2-(2,2-dimethylhydrazino)-4-(5-nitro-2-furanyl)- thiazole, 2-(2,2-dimethylhydrazino)-4-(5-nitro-2-furyl)- Thiazole,2-(2,2-dimethylhydrazino)-4-(5-nitro-2-furyl)- (8CI)

Inchi
InChI=1/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2
InChkey
ODGIMMLDVSWADK-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C(F)(F)F)N
Properties
Density
1.54
Melting Point
3-8℃
Vapour
0.554mmHg at 25°C
Refractive Index
1.483-1.485
HS Code
29214300
Safety and Handling
Risk Statements
R20/21/22;R33;R36/37/38
Safety Statements
S26;S36/37/39
HazardClass
6.1
Safety
Suspected carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ4600000
CHEMICAL NAME :
Thiazole, 2-(2,2-dimethylhydrazino)-4-(5-nitro-2-furyl)-
CAS REGISTRY NUMBER :
26049-69-4
LAST UPDATED :
199706
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C9-H10-N4-O3-S
MOLECULAR WEIGHT :
254.29
WISWESSER LINE NOTATION :
T5OJ BNW E- ET5N CSJ BMN1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4800 mg/kg/46W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Skin and Appendages - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
15 gm/kg/17W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Blood - leukemia
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
31 gm/kg/44W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors Liver - tumors

MUTATION DATA

TYPE OF TEST :
Phage inhibition capacity
TEST SYSTEM :
Bacteria - Escherichia coli
DOSE/DURATION :
1 mg/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 26,3,1974 *** REVIEWS *** TOXICOLOGY REVIEW CCSUDL Carcinogenesis--A Comprehensive Survey. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) V.1- 1976- Volume(issue)/page/year: 4,171,1978
PackingGroup
III
Transport
UN 2810 6.1/PG 3
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
RHODIA OPERATIONS 2010
Sanofi Aventis Deutschland GmbH 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 3

Specific target organ toxicity \u2013 repeated exposure, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H318 Causes serious eye damage

H331 Toxic if inhaled

H372 Causes damage to organs through prolonged or repeated exposure

H400 Very toxic to aquatic life

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

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

P271 Use only outdoors or in a well-ventilated area.

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

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

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

P330 Rinse mouth.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P311 Call a POISON CENTER/doctor/\u2026

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:161.12445g/mol
  • Molecular Formula:C13H27NS
  • XLogP3-AA:2.4
  • Exact Mass:161.045234
  • Monoisotopic Mass:161.045234
  • Complexity:124
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:26
  • Heavy Atom Count:11
  • 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
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