2-Bromo-4,6-dimethylaniline

HCID 170579CAS 41825-73-4

기본 정보

표준 SMILES: Cc1cc(C)c(N)c(Br)c1
InChIKey: YOSJCQJJIHEUKA-UHFFFAOYSA-N
분자식: C8H10BrN
평균 분자량: 200.08 g/mol
단동위원소 질량: 198.99966142

이름 및 식별자

우선 이름: 2-Bromo-4,6-dimethylaniline
IUPAC: 2-bromo-4,6-dimethylaniline
영어명: 2-Bromo-4,6-dimethylaniline
분자식: C8H10BrN
분자량: 200.08

이름 및 동의어

2-Bromo-4,6-dimethylanilineDTXSID2073512RefChem:466404DTXCID9039993609-959-541825-73-46-Bromo-2,4-xylidine2-Bromo-4,6-dimethyl-aniline2-bromo-4,6-dimethylbenzenamineMFCD000478262-bromo-4,6-dimethylphenylamineNCIOpen2_002209

이름 더 보기

RARECHEM AQ BD 00122-Bromo-4,6-Xylidine6-Bromo-2,4-dimethylaniline2.4-Dimethyl-6-Bromoaniline2-Bromo-4,6-dimethylaniline >2-bromo-4,6-dimethyl-Benzenamine2-Bromo-4,6-dimethyl-phenylamineBENZENAMINE,2-BROMO-4,6-DIMETHYL

SCHEMBL80048NSC-99447AKOS005354419AC-28600EN300-109513AN-584/43413321Benzenamine, 2-bromo-4,6-dimethyl-AMY28026

데이터베이스 식별자

CAS: 41825-73-4
PubChem CID: 170579
DTXSID: DTXSID2073512
EC Number: 609-959-5
Nikkaji: J28.392D

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 116

물리화학적 성질

녹는점: 43 · 43-47 °C (lit.)
끓는 점: 75 · 75-79°C 5mm
밀도: 1.424 · 1.424
굴절률: 1.5748 · 1.5748 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 2.82 · 2.82±0.10(Predicted)
색상: Amber to Dark green to Black
수용성: 물에 불용성.
BRN: 3046484 · 3046484
InChI: InChI=1S/C8H10BrN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3
InChIKey: YOSJCQJJIHEUKA-UHFFFAOYSA-N
SMILES: C1(N)=C(C)C=C(C)C=C1Br
EPA: 2 · 2-Bromo-4,6-dimethylaniline (41825-73-4)

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (14.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (14.9%)

안전 데이터

wgk: 3
HS 번호: 29214990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: 6.1
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Bromo-4,6-dimethylaniline can react with 3-chloro-3-methyl-but-1-yne to produce 2-bromo-N-(1',1'-dimethylprop-2'-ynyl)-4,6-dimethylaniline. This reaction will need reagent Et3N, catalyst CuCl, and the menstruum dioxane.