4,5-Dimethyl-1,2-phenylenediamine (HCID 76635)

개요

RN given refers to parent cpd

이름 및 식별자

우선 이름: 4,5-Dimethyl-1,2-phenylenediamine
IUPAC: 4,5-dimethylbenzene-1,2-diamine
영어명: 4,6-Dimethyl-1,2-phenylenediamine
분자식: C8H12N2
분자량: 136.19

이름 및 동의어

3171-45-74,5-dimethylbenzene-1,2-diamine4,5-Dimethyl-1,2-phenylenediamine4,5-Dimethyl-o-phenylenediamine1,2-Benzenediamine, 4,5-dimethyl-1OJ9D3R6NHDTXSID1062885NSC-12978DIMPDA4,5-DM-o-PDARefChem:96523DTXCID6038407

이름 더 보기

4,5-Dimethyl-ortho-phenylenediamine4,5-DimethyL4-flouro-2-nitro anilineMethylcobalamin Impurity 12-AMINO-4,5-DIMETHYLANILINE4,5-Dimethyl-2-amino-aniline

221-635-14,5-Diamino-o-xylene1,2-diamino-4,5-dimethylbenzene4,5-Dimethyl-1,2-benzenediamineMFCD00007729o-Xylene-4,5-diamine1,2-Dimethyl-4,5-diaminobenzene4,5-Dimethyl-benzene-1,2-diamine

데이터베이스 식별자

CAS: 3171-45-7
PubChem CID: 76635
DTXSID: DTXSID1062885
ChEMBL: CHEMBL1229654
UNII: 1OJ9D3R6NH
EC Number: 221-635-1
Nikkaji: J80.656K

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 52 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 99.8

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 127 · 127-129 °C (lit.)
끓는 점: 279.6 · 279.6±35.0 °C(Predicted)
밀도: 1.076 · 1.076±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 5.02 · 5.02±0.10(Predicted)
물리적 상태: 결정질 질량, 결정 또는 덩어리
색상: 흰색에서 노란색으로 갈색을 띤다.
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C8H12N2/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,9-10H2,1-2H3
InChIKey: XSZYBMMYQCYIPC-UHFFFAOYSA-N
SMILES: C1(N)=CC(C)=C(C)C=C1N
EPA: 1 · 1,2-Benzenediamine, 4,5-dimethyl- (3171-45-7)

화학적 성질

White to light brown solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (10.9%): Harmful if swallowed [Warning Acute toxicity, oral]

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information1,2-Benzenediamine, 4,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See o-Phenylenediamine.

Hazard Classes and CategoriesAcute Tox. 4 (10.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 2811
HS 번호: 29212900
risk_code: 36/37/38-36
hazard_code: Xi
safety_code: 26-36
포장분류: II
위험 등급: 6.1(a)
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1,2-Benzenediamine, 4,5-dimethyl-: ACTIVE

응용 분야

용도Employed in the preparation of transition metal complexes1 and quinoxalinones.2

상·하류 제품 정보

상류 원료

염화 제일석 에틸알코올 디에틸에테르 질산 수산화나트륨 3,4-자일리딘 황산 4,5-Dimethyl-2-nitroaniline 염산 물

하류 제품

Mecobalamin Impurity 루미크롬 6,7-dimethyl-2,3-diphenylquinoxaline 1H-벤지미다졸-2-메탄올,5,6-디메틸-(9CI)1H-Benzimidazole, 2-cyclopropyl-5,6-dimethyl-

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

上海策嵘生物科技有限公司[email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

연결된 노트

불러오는 중…

4,5-Dimethyl-1,2-phenylenediamine

기본 정보

개요