2-Chloro-4,6-dimethylaniline

HCID 113033CAS 63133-82-4

기본 정보

표준 SMILES: Cc1cc(C)c(N)c(Cl)c1
InChIKey: LKAQFOKMMXWRRQ-UHFFFAOYSA-N
분자식: C8H10ClN
평균 분자량: 155.62 g/mol
단동위원소 질량: 155.050177

이름 및 식별자

우선 이름: 2-Chloro-4,6-dimethylaniline
IUPAC: 2-chloro-4,6-dimethylaniline
영어명: 2-Chloro-4,6-dimethylaniline
분자식: C8H10ClN
분자량: 155.62

이름 및 동의어

2-Chloro-4,6-dimethylaniline63133-82-46-Chloro-2,4-dimethylanilineBenzenamine, 2-chloro-4,6-dimethyl-2-Chloro-4,6-xylidineDTXSID9040714M21NJ0OHPPEINECS 263-896-4DTXCID70207146-CHLORO-2,4-XYLIDINE2,4-XYLIDINE, 6-CHLORO-RefChem:468792

이름 더 보기

ORO-4,6-DIMETHYLAKOS BBS-00003702TIMTEC-BB SBB004021LABOTEST-BB LT000534502,4-Dimethyl-6-chloroaniline2-chloro-4,6-dimethyl-benzenamin2-Chloro-4,6-dimethylaniline 96%

2-chloro-4,6-dimethyl anilineMFCD000441182-chloro-4,6-dimethylphenylamine2-chloro-4,6-dimethyl-anilineSCHEMBL698002SCHEMBL6378939CHEMBL31846642-Chloro-4,6-dimethylaniline #

데이터베이스 식별자

CAS: 63133-82-4
PubChem CID: 113033
DTXSID: DTXSID9040714
ChEMBL: CHEMBL3184664
UNII: M21NJ0OHPP
EC Number: 263-896-4
Nikkaji: J28.393B

물성

구조 계산 물성

XLogP: 2.6
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: 38 · 38-40 °C (lit.)
끓는 점: 256.04 °C · 256.04°C (rough estimate)
밀도: 1.11 g/mL · 1.11 g/mL at 25 °C (lit.)
굴절률: 1.549 · 1.5490 (estimate)
인화점: 230 °F · >230 °F
산도 계수 (pKa): 2.94 · 2.94±0.10(Predicted)
물리적 상태: solid
InChI: 1S/C8H10ClN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3
InChIKey: LKAQFOKMMXWRRQ-UHFFFAOYSA-N
SMILES: Cc1cc(C)c(N)c(Cl)c1
EPA: 2 · Benzenamine, 2-chloro-4,6-dimethyl- (63133-82-4)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2811 6.1/PG 2
risk_code: 23/24/25-36/37/38-40-45
hazard_code: T
safety_code: 26-36/37/39-45
위험 등급: 6.1
기존화학 물질: KE-05620
Hazard Classifications: Acute Tox. 3 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
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, 2-chloro-4,6-dimethyl-: INACTIVE

응용 분야

일반 설명2-Chloro-4,6-dimethylaniline is an aromatic amine. It is an organic building block used in chemical synthesis. Its boiling point, freezing point, density and refractive index have been determined.