3,6-Dibromobenzene-1,2-diamine

HCID 11821532CAS 69272-50-0

기본 정보

표준 SMILES: Nc1c(Br)ccc(Br)c1N
InChIKey: VPMJBJSLTPBZLR-UHFFFAOYSA-N
분자식: C6H6Br2N2
평균 분자량: 265.93 g/mol
단동위원소 질량: 263.88977239

이름 및 식별자

우선 이름: 3,6-Dibromobenzene-1,2-diamine
IUPAC: 3,6-dibromobenzene-1,2-diamine
영어명: 3,6-dibroMo-1,2-BenzenediaMine
분자식: C6H6Br2N2
분자량: 265.93

이름 및 동의어

3,6-dibromobenzene-1,2-diamine69272-50-0DTXSID20473813RefChem:272302DTXCID60424627875-629-43,6-dibroMo-1,2-BenzenediaMine3,6-dibromo-o-phenylenediamineMFCD192887631,2-Benzenediamine, 3,6-dibromo-3,6-dibromo-1,2-phenylenediamineSCHEMBL1126073

이름 더 보기

S10643,6-Dibromo-2-amino-aniline1,2-diamine-3,6-dibromobenzene3,6-dibroMo-1,2-BenzenediaMine 97%

2-Amino-3,6-dibromophenylamineYSZC3643,6-dibromo-o-phen3,6-dibromo-o-phenylene diamine3,6-dibromo-1,2-diaminobenzeneVPMJBJSLTPBZLR-UHFFFAOYSA-N3,6-dibromo-benzene-1,2-diamineAKOS022171727

데이터베이스 식별자

CAS: 69272-50-0
PubChem CID: 11821532
DTXSID: DTXSID20473813
EC Number: 875-629-4
Nikkaji: J802.380H

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 52 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 106

물리화학적 성질

녹는점: 92 · 92-94℃
끓는 점: 320.9 · 320.9±37.0 °C(Predicted)
밀도: 2.104 · 2.104±0.06 g/cm3(Predicted)
증기압: 0 · 0.0±0.7 mmHg at 25°C
굴절률: 1.724 · 1.724
인화점: 147.9 · 147.9±26.5 °C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 1.33 · 1.33±0.10(Predicted)
InChI: InChI=1S/C6H6Br2N2/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,9-10H2
InChIKey: VPMJBJSLTPBZLR-UHFFFAOYSA-N
SMILES: C1(N)=C(Br)C=CC(Br)=C1N

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.