4-브로모-2-포르밀티아졸

4-Bromothiazole-2-carboxaldehyde

HCID 2763187

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 167366-05-4
표준 SMILES: O=Cc1nc(Br)cs1
InChIKey: JDUXMFGFGCJNGO-UHFFFAOYSA-N
분자식: C4H2BrNOS
평균 분자량: 192.04 g/mol
단동위원소 질량: 190.90405

이름 및 식별자

우선 이름: 4-Bromothiazole-2-carboxaldehyde
IUPAC: 4-bromo-1,3-thiazole-2-carbaldehyde
현지명: 4-브로모-2-포르밀티아졸
영어명: 4-Bromo-2-formylthiazole
분자식: C4H2BrNOS
분자량: 192.03

이름 및 동의어

4-bromothiazole-2-carboxaldehydeRefChem:520575627-487-84-Bromo-2-formylthiazole167366-05-44-bromothiazole-2-carbaldehyde4-bromo-1,3-thiazole-2-carbaldehyde2-Thiazolecarboxaldehyde, 4-bromo-MFCD066601224-bromo-2-thiazolecarboxaldehydeAKOS005256368PS-4862

이름 더 보기

4-브로모-2-포르밀티아졸thiazol-4-ol2-Formyl-4-bromo-1,3-thiazole4-Bromo-thiazol-2-carbaldehyde4-Bromo-2-thiazolecarbaldehyde4-Bromothiazole-2-carboxaldehyde 96%4-Bromo-1,3-thiazole-2-carboxaldehyde

BP-104062-Thiazolecarboxaldehyde,4-bromo-AM84573FT-0685286A19601SCHEMBL30401DTXSID00376797SBB066537

데이터베이스 식별자

CAS: 167366-05-4
PubChem CID: 2763187
DTXSID: DTXSID00376797
EC Number: 627-487-8
Nikkaji: J2.730.162B

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 58.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 100

물리화학적 성질

녹는점: 66 · 66-70℃
끓는 점: 288 ℃ · 288℃
밀도: 1.92 · 1.920
인화점: 128 ℃ · 128℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder
산도 계수 (pKa): -2.33 · -2.33±0.10(Predicted)
InChI: InChI=1S/C4H2BrNOS/c5-3-2-8-4(1-7)6-3/h1-2H
InChIKey: JDUXMFGFGCJNGO-UHFFFAOYSA-N
SMILES: S1C=C(Br)N=C1C=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (97.6%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P351+P338, P330, P337+P317, P342+P316, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 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.