3-Bromoaniline (HCID 11562)

개요

structure given in first source

이름 및 식별자

우선 이름: 3-Bromoaniline
IUPAC: 3-bromoaniline
현지명: 3-브로모아닐린
영어명: 3-Bromoaniline
분자식: C6H6BrN
분자량: 172.02

이름 및 동의어

3-BROMOANILINE591-19-5m-BromoanilineBenzenamine, 3-bromo-3-Bromobenzenaminem-AminobromobenzeneAniline, m-bromo-5Y2DRA8MJWNSC-10298DTXSID4060448RefChem:499293DTXCID9042540

이름 더 보기

3-브로모아닐린3-BROMO-PHENYLAMINE3BBANSC 102983-BromoaniL3-Brooanilinem-bromo-anilin3-Bromoanilines

209-704-43-bromo aniline3-BromophenylamineAniline, 3-bromo-3-bromo-anilineMFCD00007757Erlotinib Impurity 42EN300-19061

데이터베이스 식별자

CAS: 591-19-5
PubChem CID: 11562
DTXSID: DTXSID4060448
UNII: 5Y2DRA8MJW
EC Number: 209-704-4
Nikkaji: J94.913B

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 74.9

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP2.1

Vapor Pressure0.04 [mmHg]

Physical DescriptionClear light yellow liquid; mp = 15-18 deg C; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 16.8 °C · 16.8 °C
끓는 점: 251 °C · 251 °C(lit.)
밀도: 1.58 g/mL · 1.58 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.625(lit.)
인화점: 230 °F · >230 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 클로로포름(난용성), 에틸아세테이트, 메탄올 (약간 용해됨)
물리적 상태: 가루
산도 계수 (pKa): 3.58 · 3.58(at 25℃)
Specific Gravity: 1.58 · 1.580
색상: 흰색에서 베이지색
수용성: 불용성
BRN: 742028 · 742028
Dielectric constant: 13 · 13.0(19℃)
안정성: 흡습성
InChI: 1S/C6H6BrN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
InChIKey: DHYHYLGCQVVLOQ-UHFFFAOYSA-N
SMILES: Nc1cccc(Br)c1
NIST: 3 · 3-BrC6H4NH2(591-19-5)
EPA: m-Bromoaniline (591-19-5)

화학적 성질

Colourless Liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (91.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzenamine, 3-bromo-

3-Bromoaniline: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LDLo (rat) = 140 mg/kg; [RTECS] A skin and strong eye irritant; May induce methemoglobinemia; May cause liver and kidney injury; Harmful by ingestion and skin absorption; [Sigma-Aldrich MSDS] See 3-Chloroaniline.

Hazard Classes and CategoriesAcute Tox. 4 (91.8%)

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: CX9855300
ridadr: UN 2810 6.1/PG 2
HS 번호: 29214210
risk_code: 23/24/25-33-38-36/37/38-20/21/22-21/22
hazard_code: T,Xi,Xn
safety_code: 28-36/37/39-45-26
포장분류: III
위험 등급: 6.1
기존화학 물질: KE-03622
F 고인화성물질: 8-10-23
위험 참고 사항: Harmful/Irritant
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 3-bromo-: ACTIVE

응용 분야

용도3-Bromoaniline is used in the synthesis of amino substituted quinazoline.

일반 설명The in vitro nephrotoxic potential of 3-bromoaniline was studied.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

山东艾利特生物科技有限公司0539-18853986-090 13053958157 · [email protected]

연결된 노트

불러오는 중…

3-브로모아닐린

기본 정보

개요