5-(2-BroMo-아세틸)-티오펜-2-카르복실산메틸에스테르

Methyl 5-(2-bromoacetyl)thiophene-2-carboxylate

HCID 13727591

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4192-32-9
표준 SMILES: COC(=O)c1ccc(C(=O)CBr)s1
InChIKey: KKPYVZJBLYIYRX-UHFFFAOYSA-N
분자식: C8H7BrO3S
평균 분자량: 263.11 g/mol
단동위원소 질량: 261.92993

이름 및 식별자

우선 이름: Methyl 5-(2-bromoacetyl)thiophene-2-carboxylate
IUPAC: methyl 5-(2-bromoacetyl)thiophene-2-carboxylate
현지명: 5-(2-BroMo-아세틸)-티오펜-2-카르복실산메틸에스테르
영어명: 5-(2-BroMo-acetyl)-thiophene-2-carboxylic acid Methyl ester
분자식: C8H7BrO3S
분자량: 263.11

이름 및 동의어

Methyl 5-(2-bromoacetyl)thiophene-2-carboxylateRefChem:816657825-766-04192-32-95-(2-Bromo-acetyl)-thiophene-2-carboxylic acid methyl esterMFCD13191387Methyl 5-(bromoacetyl)thiophene-2-carboxylate2-bromo-1-(5-methoxycarbonylthiophen-2-yl)-ethanone5-(2-Bromoacetyl)thiophene-2-carboxylic acid methyl esterSCHEMBL277652DTXSID40547767KKPYVZJBLYIYRX-UHFFFAOYSA-N

이름 더 보기

5-(2-BroMo-아세틸)-티오펜-2-카르복실산메틸에스테르Arotinolol Impurity 262-Thiophenecarboxylic acid, 5-(2-bromoacetyl)-, methyl ester

EAA19232AKOS022172501AS-48198SY191870DB-358545CS-0217630EN300-80316methyl 5-(bromoacetyl)-2-thiophenecarboxylate

데이터베이스 식별자

CAS: 4192-32-9
PubChem CID: 13727591
DTXSID: DTXSID40547767
EC Number: 825-766-0

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 71.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 219

물리화학적 성질

녹는점: 122 · 122-123 °C
끓는 점: 375.6 · 375.6±32.0 °C(Predicted)
밀도: 1.628 · 1.628±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

안전 데이터

신호 어: Danger
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

공급사16 곳

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

苏州施亚生物科技有限公司17715136450 · [email protected]

苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]

深圳康特腾科技有限公司86-0755-86635001 · [email protected]

화합물 노트

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