CAS 18791-79-2 5-Bromothiophene-3-carbaldehyde (HCID 12284894)

기본 정보

CAS: 18791-79-2
표준 SMILES: O=Cc1csc(Br)c1
InChIKey: ZKLBPUYMTHPNOQ-UHFFFAOYSA-N
분자식: C5H3BrOS
평균 분자량: 191.05 g/mol
단동위원소 질량: 189.9088

이름 및 식별자

우선 이름: 5-Bromothiophene-3-carbaldehyde
IUPAC: 5-bromothiophene-3-carbaldehyde
현지명: 2-브로모티오펜-4-알데히드
영어명: 2-BROMOTHIOPHEN-4-ALDEHYDE
분자식: C5H3BrOS
분자량: 191.05

이름 및 동의어

5-bromothiophene-3-carbaldehyde18791-79-25-bromo-3-thiophenecarboxaldehydeDTXSID20484383RefChem:534138DTXCID20435193803-240-12-Bromothiophen-4-aldehyde3-THIOPHENECARBOXALDEHYDE, 5-BROMO-5-Bromo-3-thiophenecarbaldehyde5-BROMOTHIOPHENE-3-CARBOXALDEHYDEMFCD09042555

이름 더 보기

2-브로모티오펜-4-알데히드5-Bromothiophen-3-carbaldehyde2-Bromothiophene-4-carboxaldehyde5-Bromothiophene-3-carboxaldehyde97%5-Bromothiophene-3-carboxaldehyde 97%

5-BROMO-THIOPHENE-3-CARBALDEHYDE2-BROMOTHIOPHENE-4-CARBALDEHYDESCHEMBL154878SCHEMBL204487632-bromo-4-thiophenecarboxaldehydeZKLBPUYMTHPNOQ-UHFFFAOYSA-NALBB-027002SBB062754

데이터베이스 식별자

CAS: 18791-79-2
PubChem CID: 12284894
DTXSID: DTXSID20484383
EC Number: 803-240-1
Nikkaji: J148.058H

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 45.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 96

물리화학적 성질

밀도: 1.757 g/mL · 1.757 g/mL at 25 °C
굴절률: 20 · n20/D1.624
인화점: 110 ℃ · >110℃
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: Clear khaki
끓는 점: 237 · 237-242°C
InChI: InChI=1S/C5H3BrOS/c6-5-1-4(2-7)3-8-5/h1-3H
InChIKey: ZKLBPUYMTHPNOQ-UHFFFAOYSA-N
SMILES: C1SC(Br)=CC=1C=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (97.4%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 2934999090
risk_code: 22-36/37/38-43
hazard_code: Xn
safety_code: 26-36/37
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 10 - Combustible liquids