CAS 4397-55-1 Methyl 2-(carbonochloridoyl)benzoate (HCID 11159939)

기본 정보

CAS: 4397-55-1
표준 SMILES: COC(=O)c1ccccc1C(=O)Cl
InChIKey: GNBWUEAMCSHHMO-UHFFFAOYSA-N
분자식: C9H7ClO3
평균 분자량: 198.6 g/mol
단동위원소 질량: 198.0083718

이름 및 식별자

우선 이름: Methyl 2-(carbonochloridoyl)benzoate
IUPAC: methyl 2-carbonochloridoylbenzoate
현지명: 메틸2-(클로로카보닐)벤조에이트
영어명: methyl 2-(chlorocarbonyl)benzoate
분자식: C9H7ClO3
분자량: 198.6

이름 및 동의어

Benzoic acid, 2-(chlorocarbonyl)-, methyl estermethyl 2-(carbonochloridoyl)benzoateRefChem:813654695-403-7methyl 2-(chlorocarbonyl)benzoate4397-55-1Methyl 2-carbonochloridoylbenzoateMethyl phthaloyl chlorideMFCD116560392-carbomethoxybenzoylchloride2-carbomethoxyben-zoylchloridemethoxycarbonylbenzoyl chloride

이름 더 보기

메틸2-(클로로카보닐)벤조에이트RMA-133Methyl phthaloyl chloride 97%Methyl 2-chloroformylbenzoateo-Carbomethoxybenzoyl chlorideo-Methoxycarbonylbenzoyl chloride2-METHOXYCARBONYLBENZOYL CHLORIDEPhthalic acid monochloride monomethyl esterphthalic monoacid monomethyl ester chloride

SCHEMBL305237o-methoxycarbonylbenzoylchloridemethyl 2-(chloroformyl)benzoateMethyl phthaloyl chloride, 97%DTXSID70457229GNBWUEAMCSHHMO-UHFFFAOYSA-N2-(methoxycarbonyl)benzoyl chlorideEAA39755

데이터베이스 식별자

CAS: 4397-55-1
PubChem CID: 11159939
DTXSID: DTXSID70457229
EC Number: 695-403-7
Nikkaji: J456.476F

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 215

물리화학적 성질

저장 조건: 2 · 2-8°C
물리적 상태: 기름
색상: 노란색
InChI: 1S/C9H7ClO3/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3
InChIKey: GNBWUEAMCSHHMO-UHFFFAOYSA-N
SMILES: COC(=O)c1ccccc1C(Cl)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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.