3-브로모-4-포밀티오펜

4-Bromothiophene-3-carboxaldehyde

HCID 2764207CAS 18791-78-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1cscc1Br
InChIKey: ZDVHJQOCVBTMOF-UHFFFAOYSA-N
분자식: C5H3BrOS
평균 분자량: 191.05 g/mol
단동위원소 질량: 189.90879782

이름 및 식별자

우선 이름: 4-Bromothiophene-3-carboxaldehyde
IUPAC: 4-bromothiophene-3-carbaldehyde
현지명: 3-브로모-4-포밀티오펜
영어명: 3-BROMO-4-FORMYLTHIOPHENE
분자식: C5H3BrOS
분자량: 191.05

이름 및 동의어

4-Bromothiophene-3-carboxaldehydeRefChem:520590631-577-24-bromothiophene-3-carbaldehyde18791-78-13-Bromo-4-formylthiophene4-BROMO-3-THIOPHENECARBALDEHYDE3-Thiophenecarboxaldehyde, 4-bromo-MFCD013189603-Formyl-4-bromothiophene4-bromo-3-thiophenealdehydeSCHEMBL1244775

이름 더 보기

3-브로모-4-포밀티오펜CHEMBRDG-BB 43003323- bromothiophene -4- formaldehyde4-Bromothiophene-3-carboxaldehyde >4-bromothiophene-3-carbaldehyde(SALTDATA: FREE)

4-bromo-thiophene-3-carbaldehydeDTXSID303773584-BROMO-3-FORMYLTHIOPHENEZDVHJQOCVBTMOF-UHFFFAOYSA-NSBB091234AKOS005070902AB08778CS-W006503

데이터베이스 식별자

CAS: 18791-78-1
PubChem CID: 2764207
DTXSID: DTXSID30377358
EC Number: 631-577-2
Nikkaji: J148.054E

물성

구조 계산 물성

XLogP: 1.8
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: 96.4

물리화학적 성질

끓는 점: 96 °/5mm · 96°/5mm
밀도: 1.789 · 1.789±0.06 g/cm3(Predicted)
굴절률: 1.631 to · 1.6310 to 1.6350
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 투명한 액체
색상: Light yellow to Yellow to Orange
InChI: 1S/C5H3BrOS/c6-5-3-8-2-4(5)1-7/h1-3H
InChIKey: ZDVHJQOCVBTMOF-UHFFFAOYSA-N
SMILES: Brc1cscc1C=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (95.1%)

안전 데이터

HS 번호: 2934999090
hazard_code: Xi
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도3-BroMo-4-forMylthiophene is used in the dehalogenation and hydrogenation of halogenated heteroatom aldehydes. Also used in the production of NIR-absorbing polycarboxylic acids as polymer dye fo r dye sensitized solar cells.