68772-49-6

68772-49-6 structure

68772-49-6 structure

Name: 3-benzyl-1,2-dimethyl-5-(trifluoromethyl)benzimidazol-1-ium,bromide
Chemical Name: 3-benzyl-1,2-dimethyl-5-(trifluoromethyl)benzimidazol-1-ium,bromide
CAS Number: 68772-49-6
Molecular Formula: C₁₇H₁₆BrF₃N₂
Molecular Weight: 385.22200
Create Date: 2016-05-02 07:01:27
Modify Date: 2024-07-19 11:01:28

Name	3-benzyl-1,2-dimethyl-5-(trifluoromethyl)benzimidazol-1-ium,bromide
Synonyms	EINECS 268-055-5 3-Benzyl-1,2-dimethyl-5-trifluoromethylbenzimidazolium bromide

Molecular Formula	C₁₇H₁₆BrF₃N₂
Molecular Weight	385.22200
Exact Mass	384.04500
PSA	8.81000
LogP	0.84530

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UU6857400

CHEMICAL NAME :: Pyridinium, 1,1'-(p-phenylenebis(vinylene-p-phenylene))bis-, di-p-toluenesulfonate

CAS REGISTRY NUMBER :: 68772-49-6

LAST UPDATED :: 199409

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C29-H26-N2.2C7-H7-O3-S

MOLECULAR WEIGHT :: 744.97

WISWESSER LINE NOTATION :: T6KJ AR D1U1R D1U1R D- AT6KJ &WSO&R D1 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD10 - Lethal Dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 7 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: DNA adduct

TEST SYSTEM :: Rodent - mouse Lymphocyte

DOSE/DURATION :: 760 nmol/L

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 22,134,1979