3-Bromo-N,N-dimethylaniline

HCID 140102CAS 16518-62-0

기본 정보

표준 SMILES: CN(C)c1cccc(Br)c1
InChIKey: USEXQPWLCGBYNT-UHFFFAOYSA-N
분자식: C8H10BrN
평균 분자량: 200.08 g/mol
단동위원소 질량: 198.99966142

이름 및 식별자

우선 이름: 3-Bromo-N,N-dimethylaniline
IUPAC: 3-bromo-N,N-dimethylaniline
영어명: 3-Bromo-N,N-dimethylaniline
분자식: C8H10BrN
분자량: 200.08

이름 및 동의어

3-Bromo-N,N-dimethylaniline16518-62-0Benzenamine, 3-bromo-N,N-dimethyl-DTXSID70167856RefChem:93228DTXCID9090347605-393-8MFCD00045020N,N-Dimethyl-3-bromoanilineC8H10BrN(3-bromophenyl)dimethylamineN,N-Dimethyl 3-bromoaniline

이름 더 보기

3-Bromo-N<3-Bromo-N,N-dimethyLM-BROMODIMETHYL ANILINEm-Bromo-N,N-dimethylanilineN-(3-Bromophenyl)dimethylamine1-Bromo-3-(dimethylamino)benzene

3-bromo-n,n-dimethyl-anilinem-bromodimethylanilineSCHEMBL448533-bromo-1-dimethylaminobenzeneSCHEMBL1637721(3-Bromo-phenyl)-dimethylamine3-bromo-n,n-dimethylbenzenamine1-bromo-3-dimethylamino-benzene

데이터베이스 식별자

CAS: 16518-62-0
PubChem CID: 140102
DTXSID: DTXSID70167856
EC Number: 605-393-8
Nikkaji: J270.050F

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 3.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 103

실험 및 물리화학적 성질

SpringerMaterials PropertiesDiamagnetic susceptibility

물리화학적 성질

녹는점: 11 °C · 11°C
끓는 점: 126 °C · 126°C 14mm
밀도: 1.402 g/mL · 1.402 g/mL at 25 °C
굴절률: 1.6004 · 1.6004
인화점: 126 °C/14mm · 126°C/14mm
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 디클로로메탄 및 메탄올과 혼합 가능.
산도 계수 (pKa): 3.9 · 3.90±0.10(Predicted)
물리적 상태: 액체
색상: 노란색
BRN: 2079908 · 2079908
InChI: InChI=1S/C8H10BrN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKey: USEXQPWLCGBYNT-UHFFFAOYSA-N
SMILES: C1(N(C)C)=CC=CC(Br)=C1

화학적 성질

Light Yellow Liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301+H311+H331 (14.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P203, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (28.6%)

안전 데이터

wgk: 3
ridadr: 2810
HS 번호: 2921420090
risk_code: 20/21/22-33
hazard_code: Xi
safety_code: 26-36/37/39
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Eye Irrit. 2STOT RE 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 1건

용도3-Bromo-N,N-dimethylaniline is involved in fluorination using metal fluoride in the presence of 2-(di-1-adamantylphosphino)-3,6-dimethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl (AdBrettPhos)-based Pd precatalyst, used to prepare 3-fluoro-N,N- dimethylaniline.