2-Bromoaniline

HCID 11992CAS 615-36-1

기본 정보

표준 SMILES: Nc1ccccc1Br
InChIKey: AOPBDRUWRLBSDB-UHFFFAOYSA-N
분자식: C6H6BrN
평균 분자량: 172.02 g/mol
단동위원소 질량: 170.96836129

이름 및 식별자

우선 이름: 2-Bromoaniline
IUPAC: 2-bromoaniline
영어명: 2-Bromoaniline
분자식: C6H6BrN
분자량: 172.02

이름 및 동의어

2-BROMOANILINE615-36-1o-BromoanilineBenzenamine, 2-bromo-Aniline, o-bromo-o-AminobromobenzeneVTP98DS78ENSC-7086DTXSID5060645RefChem:85845DTXCID0043054210-421-3

이름 더 보기

2-Bromoanilines1-Amino-2-bromobenzene2-BromoaniLBROMOANILINE(2-)AKOS BBS-000036502-bromo-benzenamin

2-bromobenzenamine2-bromo-aniline2-bromophenylamineMFCD00007632aniline, 2-bromo-2-bromioanilineo-bromo-aniline2-bromaniline

데이터베이스 식별자

CAS: 615-36-1
PubChem CID: 11992
DTXSID: DTXSID5060645
UNII: VTP98DS78E
EC Number: 210-421-3
Nikkaji: J94.957D

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 Properties15N nuclear magnetic resonance spectrum

Vapor Pressure0.04 [mmHg]

Physical DescriptionBrown solid; mp = 27-32 deg C; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 24 · 24-28 °C (lit.)
끓는 점: 229 °C · 229 °C (lit.)
밀도: 1.52 g/mL · 1.52 g/mL at 25 °C (lit.)
굴절률: 1.617 · 1.617-1.619
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: 0.949 g/L · 0.949g/L
물리적 상태: 녹은 후에 액체
산도 계수 (pKa): 2.53 · 2.53(at 25℃)
색상: 투명한 노란색에서 적갈색까지
수용성: 물에 불용성.
BRN: 742062 · 742062
InChI: 1S/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
InChIKey: AOPBDRUWRLBSDB-UHFFFAOYSA-N
SMILES: Nc1ccccc1Br
NIST: 2 · Benzenamine, 2-bromo-(615-36-1)
EPA: 2 · Benzenamine, 2-bromo- (615-36-1)

화학적 성질

CLEAR YELLOW TO RED-BROWN LIQUID AFTER MELTING

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P262, P264, P270, P273, P280, P301+P317, P302+P352, P316, P319, P321, P330, P361+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzenamine, 2-bromo-

Status: Active Update: 03-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23361

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

Hazards SummaryA skin and strong eye irritant; May induce methemoglobinemia; Harmful by ingestion and inhalation; Toxic by skin absorption; Prolonged or repeated exposure may cause organ injury; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (96.2%)

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
ridadr: UN 2811 6.1/PG 3
HS 번호: 29214210
risk_code: 23/24/25-33-52/53-36/37/38-20/21/22-24/25
hazard_code: T,Xn
safety_code: 36/37-45-61-36/37/39-26
포장분류: III
위험 등급: 6.1
F 고인화성물질: 8-23
위험 참고 사항: Toxic
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 2-bromo-: ACTIVE

응용 분야

용도2-Bromoaniline is used as a corrosion inhibitor, emulsifying and antiseptic agents. It is used in the rubber industry, e.g. diphenylguanidines, phenylenediamines mercaptobenzothiazoles, aniline ketones and etc.