CAS 56077-78-2 Methyl 2-[4-(chlorosulfonyl)phenoxy]acetate (HCID 22479292)

기본 정보

CAS: 56077-78-2
표준 SMILES: COC(=O)COc1ccc(S(=O)(=O)Cl)cc1
InChIKey: ISHZBFTYSQSGBF-UHFFFAOYSA-N
분자식: C9H9ClO5S
평균 분자량: 264.68 g/mol
단동위원소 질량: 263.98592207

이름 및 식별자

우선 이름: Methyl 2-[4-(chlorosulfonyl)phenoxy]acetate
IUPAC: methyl 2-(4-chlorosulfonylphenoxy)acetate
현지명: (4-클로로설포닐페녹시)아세트산메틸에스테르
영어명: (4-Chlorosulfonylphenoxy)acetic acid methyl ester
분자식: C9H9ClO5S
분자량: 264.68

이름 및 동의어

Methyl 2-(4-(chlorosulfonyl)phenoxy)acetateMETHYL 2-[4-(CHLOROSULFONYL)PHENOXY]ACETATERefChem:813441867-025-456077-78-2methyl 2-(4-chlorosulfonylphenoxy)acetateMFCD08274832METHYL 2-(4-(CHLOROSULFONYL)PHENOXY) ACETATEmethyl [4-(chlorosulfonyl)phenoxy]acetate(4-Chlorosulfonylphenoxy)acetic acid methyl esterFD7132SCHEMBL4504044

이름 더 보기

(4-클로로설포닐페녹시)아세트산메틸에스테르Acetic acid,2-[4-(chlorosulfonyl)phenoxy]-,methyl ester

Acetic acid, [4-(chlorosulfonyl)phenoxy]-, methyl esterDTXSID00626002ISHZBFTYSQSGBF-UHFFFAOYSA-NGCA07778GS3942AKOS016008796NS-04164SY178032

데이터베이스 식별자

CAS: 56077-78-2
PubChem CID: 22479292
DTXSID: DTXSID00626002
EC Number: 867-025-4

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 78.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 16
형식 전하: 0
복잡도: 326

물리화학적 성질

녹는점: 63 · 63-64 ºC
밀도: 1.418 · 1.418
저장 조건: 2 · 2-8°C
InChI: InChI=1S/C9H9ClO5S/c1-14-9(11)6-15-7-2-4-8(5-3-7)16(10,12)13/h2-5H,6H2,1H3
InChIKey: ISHZBFTYSQSGBF-UHFFFAOYSA-N
SMILES: C(OC)(=O)COC1=CC=C(S(Cl)(=O)=O)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.