1,4-DIBROMO-2,3-부탄디온

1,4-Dibromo-2,3-butanedione

HCID 22747CAS 6305-43-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(CBr)C(=O)CBr
InChIKey: RZMOICJDRADLCT-UHFFFAOYSA-N
분자식: C4H4Br2O2
평균 분자량: 243.88 g/mol
단동위원소 질량: 241.8578

이름 및 식별자

우선 이름: 1,4-Dibromo-2,3-butanedione
IUPAC: 1,4-dibromobutane-2,3-dione
현지명: 1,4-DIBROMO-2,3-부탄디온
영어명: 1,4-Dibromo-2,3-butanedione
분자식: C4H4Br2O2
분자량: 243.88

이름 및 동의어

1,4-Dibromo-2,3-butanedione6305-43-72,3-BUTANEDIONE, 1,4-DIBROMO-1,4-DibromobutanedioneNHZ2FG6JE3NSC-41130NSC-75722DTXSID9064219DBBDRefChem:416709DTXCID6043624228-615-1

이름 더 보기

1,4-DIBROMO-2,3-부탄디온SKL239SYM-DIBROMODIACETYLà,à'-dibromobiacetyl2,2’-dibromobiacetyl1,4-dibromo-3-butanedionealpha,alpha’-dibromobiacetyl

1,4-Dibromobutane-2,3-dione2,2'-Dibromobiacetylalpha,alpha'-DibromobiacetylS 671,4-DibromodiacetylEINECS 228-615-1NSC 41130NSC 75722

데이터베이스 식별자

CAS: 6305-43-7
PubChem CID: 22747
DTXSID: DTXSID9064219
ChEBI: CHEBI:188852
UNII: NHZ2FG6JE3
EC Number: 228-615-1
Nikkaji: J42.099I

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 34.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 96

실험 및 물리화학적 성질

Physical DescriptionLight yellow powder; [Aldrich MSDS] Irritating odor; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 117 · 117-119 °C (lit.)
끓는 점: 213 · 213.0±25.0 °C(Predicted)
밀도: 2.0524 · 2.0524 (rough estimate)
굴절률: 1.522 · 1.5220 (estimate)
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: powder
수용성: 물에 불용성.
BRN: 970154 · 970154
InChI: InChI=1S/C4H4Br2O2/c5-1-3(7)4(8)2-6/h1-2H2
InChIKey: RZMOICJDRADLCT-UHFFFAOYSA-N
SMILES: C(Br)C(=O)C(=O)CBr
EPA: 2 · 2,3-Butanedione, 1,4-dibromo- (6305-43-7)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (90.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (90.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 43 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.

유해성 정보

Hazards Summary · 1건

Causes acute pulmonary edema and diffuse hepatitis in intravenous lethal-dose studies of dogs; [RTECS] A skin and strong eye irritant; [Aldrich MSDS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (90.7%)；Eye Irrit. 2 (90.7%)；STOT SE 3 (90.7%)

독성 정보

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.；Dermatotoxin - Skin burns.