2,4-Dibromobutyryl chloride

HCID 4413143CAS 82820-87-9

기본 정보

표준 SMILES: O=C(Cl)C(Br)CCBr
InChIKey: WYZLYWUZERABRL-UHFFFAOYSA-N
분자식: C4H5Br2ClO
평균 분자량: 264.34 g/mol
단동위원소 질량: 261.83956666

이름 및 식별자

우선 이름: 2,4-Dibromobutyryl chloride
IUPAC: 2,4-dibromobutanoyl chloride
영어명: 2,4-Dibromobutyryl chloride
분자식: C4H5Br2ClO
분자량: 264.34

이름 및 동의어

2,4-Dibromobutyryl chloride2,4-dibromobutanoyl chloride82820-87-9DTXSID50403002RefChem:443235DTXCID10353857629-640-42,4-dibromobutyrylchlorideButanoyl chloride, 2,4-dibromo-MFCD018629942,4-dibromobutanoic acid chlorideBC004825

이름 더 보기

EOS-60357Bepotastine Impurity 132,4-Dibromobutyryl chloride ISO 9001：2015 REACH2,4-DibroMobutyryl chloride technical, ~90% (GC)

C4H5Br2ClOOlutasidenib Impurity 112,4dibromobutyryl chloride2,4 dibromobutanoyl chlorideBrCH2CH2CH(Br)C(O)Cl2,4-dibromo-butyryl chlorideSCHEMBL7890952,4-dibromobutyric acid chloride

데이터베이스 식별자

CAS: 82820-87-9
PubChem CID: 4413143
DTXSID: DTXSID50403002
EC Number: 629-640-4
Nikkaji: J3.676.464C

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 86.1

물리화학적 성질

끓는 점: 84 · 84-87 °C(Press: 8 Torr)
밀도: 2 g/mL · 2.00 g/mL at 20 °C
굴절률: 20 · n20/D 1.536
저장 조건: 2 · 2-8°C
물리적 상태: 기름
색상: Clear, pale yellow
BRN: 4955401 · 4955401
InChI: 1S/C4H5Br2ClO/c5-2-1-3(6)4(7)8/h3H,1-2H2
InChIKey: WYZLYWUZERABRL-UHFFFAOYSA-N
SMILES: ClC(=O)C(Br)CCBr

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P233, P260, P261, P264, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P342+P316, P362+P364, P363, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 2915907098
risk_code: 14-34-42/43
hazard_code: C
safety_code: 23-26-36/37/39-45
F 고인화성물질: 8-10-19-21
Hazard Classifications: Resp. Sens. 1Skin Corr. 1BSkin Sens. 1
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도2,4-Dibromobutyryl chloride was used in the preparation of:methyl 2,4-dibromobutanoateseries of 3-(3, 5-di-tert-butyl-4-hydroxybenzylidene)pyrrolidin-2-ones, anti-inflammatory/analgesic agentsα-bromolactam