2,3-Dibromopropanoyl chloride

HCID 86790CAS 18791-02-1

기본 정보

표준 SMILES: O=C(Cl)C(Br)CBr
InChIKey: HWKWYDXHMQQDQJ-UHFFFAOYSA-N
분자식: C3H3Br2ClO
평균 분자량: 250.31 g/mol
단동위원소 질량: 247.8239166

이름 및 식별자

우선 이름: 2,3-Dibromopropanoyl chloride
IUPAC: 2,3-dibromopropanoyl chloride
영어명: 2,3-Dibromopropionyl chloride
분자식: C3H3Br2ClO
분자량: 250.32

이름 및 동의어

2,3-Dibromopropionyl chloride2,3-Dibromopropanoyl chlorideDTXSID10940266RefChem:441989DTXCID901368737242-575-218791-02-1Propanoyl chloride, 2,3-dibromo-2,3-DibromopropionylchlorideMFCD00000712C3H3Br2ClOalpha,beta-Dibromopropionyl chloride

이름 더 보기

2.3-Dibromoproionyl chloride2,3-dibromo-propionylchlorid2,3-dibromopropanoylchloride2,3-dibromo-propanoyl chlorid2,3-DibromopropionylChloride>Propionyl chloride, 2,3-dibromo-

EINECS 242-575-2BRN 1749801Propionyl chloride, 2,3-dibromo-3-02-00-00572 (Beilstein Handbook Reference)SCHEMBL16514162,3-Dibromopropionyl chloride, 97%AKOS015900958AS-12147

데이터베이스 식별자

CAS: 18791-02-1
PubChem CID: 86790
DTXSID: DTXSID10940266
EC Number: 242-575-2
Nikkaji: J222.304J

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 75.3

물리화학적 성질

끓는 점: 191 · 191-193 °C (lit.)
밀도: 2.181 g/mL · 2.181 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.542(lit.)
인화점: 152 °F · 152 °F
저장 조건: RT, stored under nitrogen
물리적 상태: 액체
색상: 무색~황색으로 투명함
BRN: 1749801 · 1749801
InChI: InChI=1S/C3H3Br2ClO/c4-1-2(5)3(6)7/h2H,1H2
InChIKey: HWKWYDXHMQQDQJ-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C(Br)CBr

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.9%)

안전 데이터

wgk: 3
rtecs: UG6657500
ridadr: UN 3265 8/PG 2
HS 번호: 29159000
risk_code: 34-36/37
hazard_code: C
safety_code: 23-26-27-28-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 19-21
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1BSTOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도2,3-Dibromopropionyl chloride was used in synthesis of:series of 2,3-diaminopropionanilidesenantiomers of 1,4-dideoxy-1,4-iminolyxitol and 1,4-dideoxy-1,4-iminoribitolacromelic acid A