4-Bromo-2,6-xylidine (HCID 90549)

이름 및 식별자

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

이름 및 동의어

24596-19-84-Bromo-2,6-xylidine4-bromo-2,6-dimethylbenzenamineEINECS 246-337-9DTXSID40179345NSC 227944RefChem:519161DTXCID70101836246-337-9InChI=1/C8H10BrN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H4-Bromo-2,6-dimethylanilineBenzenamine, 4-bromo-2,6-dimethyl-

이름 더 보기

6-diMethylanilineTIMTEC-BB SBB0024104-Bromo-2,6-dimethylLABOTEST-BB LT011432222,6-Xylidine, 4-bromo-4-broMo-2,6-deMethylaniline

2,6-Dimethyl-4-bromoaniline4-Bromo-2,6-dimethyl-phenylamine4-bromo-2,6-dimethylphenylamineMFCD000078264-bromo-2,6-dimethyl-aniline9W5K8J5F6BCS-W019870NSC-227944

데이터베이스 식별자

CAS: 24596-19-8
PubChem CID: 90549
DTXSID: DTXSID40179345
UNII: 9W5K8J5F6B
EC Number: 246-337-9
Nikkaji: J236.723H

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: 104

실험 및 물리화학적 성질

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 48 · 48-51 °C (lit.)
끓는 점: 120 °C · 120°C 0,2mm
밀도: 1.4423 · 1.4423 (rough estimate)
굴절률: 1.5748 · 1.5748 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): 3.6 · 3.60±0.10(Predicted)
물리적 상태: 액체
색상: 투명한 노란색에서 주황색, 호박색까지
BRN: 1936300 · 1936300
InChI: InChI=1S/C8H10BrN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
InChIKey: QGLAYJCJLHNIGJ-UHFFFAOYSA-N
SMILES: C1(N)=C(C)C=C(Br)C=C1C
NIST: 4 · Benzenamine, 4-bromo-2,6-dimethyl-(24596-19-8)

화학적 성질

brown crystals

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (18.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (18.4%)

안전 데이터

wgk: 3
ridadr: UN2811/6.1/III
HS 번호: 29214990
risk_code: 38-43-36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 36/37-36/37/39-26
위험 등급: 6.1
F 고인화성물질: 8-10-23
위험 참고 사항: Harmful
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 1건

용도4-Bromo-2,6-dimethylaniline has been used in the preparation of:4-bromo-N-(1-(6-(1-isopropyl-1H-benzo[d]imidazol-2-yl)pyridin-2-yl)ethylidene)-2,6-dimethylbenzenamineN-(4-Bromo-2,6-dimethylphenyl)-5-trimethylammoniumsalicylaldimine chlorideethynyl-functionalized persistent perylene diimide-multichromophore