CAS 374537-95-8 Methyl 3-[4-(chlorosulfonyl)phenyl]propanoate (HCID 23158517)

기본 정보

CAS: 374537-95-8
표준 SMILES: COC(=O)CCc1ccc(S(=O)(=O)Cl)cc1
InChIKey: MLBUSWRSGABXFY-UHFFFAOYSA-N
분자식: C10H11ClO4S
평균 분자량: 262.71 g/mol
단동위원소 질량: 262.00665751

이름 및 식별자

우선 이름: Methyl 3-[4-(chlorosulfonyl)phenyl]propanoate
IUPAC: methyl 3-(4-chlorosulfonylphenyl)propanoate
영어명: METHYL 3-(4-CHLOROSULFONYL)PHENYLPROPIONATE
분자식: C10H11ClO4S
분자량: 262.71

이름 및 동의어

374537-95-8Methyl 3-(4-chlorosulfonyl)phenylpropionatemethyl 3-[4-(chlorosulfonyl)phenyl]propanoateMethyl 3-(4-(chlorosulfonyl)phenyl)propanoateMFCD02093942methyl 3-(4-chlorosulfonylphenyl)propanoate3-(4-Chlorosulfonylphenyl)propionic acid methyl esterMethyl 3-(4-chlorosulphonyl)phenylpropionate3-(4-chlorosulfonyl-phenyl)-propionic acid methyl esterBenzenepropanoic acid, 4-(chlorosulfonyl)-, methyl esterSCHEMBL343527DTXSID70631103

이름 더 보기

Metyl 3-(4-Chlorosulfonyl)Phenylpropionate3-(4-Chlorosulfonylphenyl)propionicacidmethylester3-(4-Chlorosulfonyl-pheny)-propionic acid methyl ester3-(4-sulfonylacylchloro)benzenepropanoic acidmethyl ester

MLBUSWRSGABXFY-UHFFFAOYSA-NCK2493SBB065027AKOS009157386NS-04096SY101198methyl 3(4-chlorosulphonyl)phenylpropionatemethyl 3-(4-chlorosulfonylphenyl)propionate

데이터베이스 식별자

CAS: 374537-95-8
PubChem CID: 23158517
DTXSID: DTXSID70631103
EC Number: 679-324-5

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 68.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 16
형식 전하: 0
복잡도: 325

물리화학적 성질

녹는점: 64 · 64-65°C
끓는 점: 352 · 352.0±25.0 °C(Predicted)
밀도: 1.344 · 1.344±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.