METHYL3-AMINO-4-CYANOTHIOPHENE-2-CARBOXYLATE

Modify Date: 2025-08-25 20:46:23

METHYL3-AMINO-4-CYANOTHIOPHENE-2-CARBOXYLATE Structure
METHYL3-AMINO-4-CYANOTHIOPHENE-2-CARBOXYLATE structure
Common Name METHYL3-AMINO-4-CYANOTHIOPHENE-2-CARBOXYLATE
CAS Number 91012-53-2 Molecular Weight 195.21500
Density 1.123g/cm3 Boiling Point 277ºC at 760 mmHg
Molecular Formula C10H13NO3 Melting Point N/A
MSDS N/A Flash Point 121.3ºC

 Names

Name (n-methoxy-n-methylcarbamoylmethyl)phenoxymethane
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.123g/cm3
Boiling Point 277ºC at 760 mmHg
Molecular Formula C10H13NO3
Molecular Weight 195.21500
Flash Point 121.3ºC
Exact Mass 195.09000
PSA 38.77000
LogP 1.08520
Index of Refraction 1.514
InChIKey FMSAFEIBRFIVHS-UHFFFAOYSA-N
SMILES CON(C)C(=O)COc1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AK8357000
CHEMICAL NAME :
Acetohydroxamic acid, N,O-dimethyl-2-phenoxy-
CAS REGISTRY NUMBER :
91012-53-2
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C10-H13-N-O3
MOLECULAR WEIGHT :
195.24
WISWESSER LINE NOTATION :
1ON1&V1OR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2370 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 4,317,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1065 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 4,317,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
361 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 4,317,1961

 Safety Information

HS Code 2924299090

 Synthetic Route

~89%

METHYL3-AMINO-4-CYANOTHIOPHENE-2-CARBOXYLATE Structure

METHYL3-AMINO-4...

CAS#:91012-53-2

Literature: NORTH CAROLINA STATE UNIVERSITY; LINDSEY, Jonathan S.; MASS, Olga Patent: WO2013/62670 A2, 2013 ; Location in patent: Page/Page column 79 ;

~81%

METHYL3-AMINO-4-CYANOTHIOPHENE-2-CARBOXYLATE Structure

METHYL3-AMINO-4...

CAS#:91012-53-2

Literature: Hiyama; Reddy; Minami; Hanamoto Bulletin of the Chemical Society of Japan, 1995 , vol. 68, # 1 p. 350 - 363

~%

METHYL3-AMINO-4-CYANOTHIOPHENE-2-CARBOXYLATE Structure

METHYL3-AMINO-4...

CAS#:91012-53-2

Literature: Mass, Olga; Lindsey, Jonathan S. Journal of Organic Chemistry, 2011 , vol. 76, # 22 p. 9478 - 9487

~%

METHYL3-AMINO-4-CYANOTHIOPHENE-2-CARBOXYLATE Structure

METHYL3-AMINO-4...

CAS#:91012-53-2

Literature: Major,R.T.; Ohly,K.W. J. Med. Pharm. Chem., 1961 , vol. 4, # 2 p. 317 - 326

~%

METHYL3-AMINO-4-CYANOTHIOPHENE-2-CARBOXYLATE Structure

METHYL3-AMINO-4...

CAS#:91012-53-2

Literature: Major,R.T.; Ohly,K.W. J. Med. Pharm. Chem., 1961 , vol. 4, # 2 p. 317 - 326

 Customs

HS Code 2924299090
Summary 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

N-methoxy-2-phenoxy-N-methyl-acetamide
n,o-dimethyl-2-phenoxy-acetohydroxamicaci
N-methoxy-N-methyl-2-phenoxyacetamide
n,o-dimethyl-2-phenoxyacetohydroxamicacid
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