CAS 78502-71-3 Ethyl 2-(bromomethyl)-1,3-thiazole-4-carboxylate (HCID 11043146)

기본 정보

CAS: 78502-71-3
표준 SMILES: CCOC(=O)c1csc(CBr)n1
InChIKey: LHVYKGHESZRJJO-UHFFFAOYSA-N
분자식: C7H8BrNO2S
평균 분자량: 250.12 g/mol
단동위원소 질량: 248.9459116

이름 및 식별자

우선 이름: Ethyl 2-(bromomethyl)-1,3-thiazole-4-carboxylate
IUPAC: ethyl 2-(bromomethyl)-1,3-thiazole-4-carboxylate
현지명: 에틸2-(브로모메틸)-1,3-티아졸-4-카르복실레이트
영어명: ETHYL 2-(BROMOMETHYL)-1,3-THIAZOLE-4-CARBOXYLATE
분자식: C7H8BrNO2S
분자량: 250.11

이름 및 동의어

78502-71-3Ethyl 2-(bromomethyl)-1,3-thiazole-4-carboxylateDTXSID50453108RefChem:342487DTXCID10403927867-967-6ETHYL 2-(BROMOMETHYL)THIAZOLE-4-CARBOXYLATEMFCD099535872-BROMOMETHYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTERSCHEMBL1513053AKOS024262041AB55458

이름 더 보기

에틸2-(브로모메틸)-1,3-티아졸-4-카르복실레이트4-Thiazolecarboxylic acid, 2-(bromomethyl)-, ethyl ester

DDA50271CS-W007226BS-29625ethyl 2-bromomethyl-4-thiazolecarboxylateEthyl 2-bromomethylthiazole 4-carboxylateethyl 2-bromomethylthiazole-4-carboxylateSY110645DB-364910

데이터베이스 식별자

CAS: 78502-71-3
PubChem CID: 11043146
DTXSID: DTXSID50453108
EC Number: 867-967-6

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 67.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 167

물리화학적 성질

끓는 점: 290.8 · 290.8±20.0 °C(Predicted)
밀도: 1.602 · 1.602±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): -0.45 · -0.45±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, 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.