Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Imitrodast
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Purity: 98.04%
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Imitrodast
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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114686-12-3

114686-12-3 structure

114686-12-3 structure

Name: Imitrodast
Chemical Name: 2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid
CAS Number: 114686-12-3
Molecular Formula: C₁₃H₁₂N₂O₂S
Molecular Weight: 260.31200
Create Date: 2018-04-06 08:00:00
Modify Date: 2024-01-07 19:36:10

Name	2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid
Synonyms	Imitrodast 4,5-dihydro-2-(1-imidazolyl)methylthianaphthene-6-carboxylic acid 2-(1H-Imidazol-1-ylmethyl)-4,5-dihydrobenzo(b)thiophene-6-carboxylic acid Benzo[b]thiophene-6-carboxylicacid,4,5-dihydro-2-(1H-imidazol-1-ylmethyl) Imitrodast [INN] 4,5-Dihydro-2-(imidazol-1-ylmethyl)benzo(b)thiophene-6-carboxylic acid 2-(1h-imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid UNII-JCQ5G1KFHN

Density	1.43g/cm3
Boiling Point	494.6ºC at 760 mmHg
Molecular Formula	C₁₃H₁₂N₂O₂S
Molecular Weight	260.31200
Flash Point	252.9ºC
Exact Mass	260.06200
PSA	83.36000
LogP	2.40710
Vapour Pressure	1.33E-10mmHg at 25°C
Index of Refraction	1.718

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DL9602100

CHEMICAL NAME :: Benzo(b)thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)-

CAS REGISTRY NUMBER :: 114686-12-3

LAST UPDATED :: 199512

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C13-H12-N2-O2-S

MOLECULAR WEIGHT :: 260.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1880 mg/kg

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

REFERENCE :: JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #94-192090

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2760 mg/kg

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

REFERENCE :: JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #94-192090