2,5-디메틸-1,4-벤젠디아민

2,5-Dimethyl-p-phenylenediamine

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기본 정보

CAS: 6393-01-7
표준 SMILES: Cc1cc(N)c(C)cc1N
InChIKey: BWAPJIHJXDYDPW-UHFFFAOYSA-N
분자식: C8H12N2
평균 분자량: 136.19 g/mol
단동위원소 질량: 136.10004838

개요

2,5-dimethyl-p-phenylenediamine is a primary arylamine that is p-xylene substituted at the 2 and 5 positions by amino groups. It is formally a reduction product of 2,5-dimethyl-1,4-benzoquinonediimine. It has a role as an allergen. It derives from a hydride of a p-xylene.

이름 및 식별자

우선 이름: 2,5-Dimethyl-p-phenylenediamine
IUPAC: 2,5-dimethylbenzene-1,4-diamine
현지명: 2,5-디메틸-1,4-벤젠디아민
영어명: 2,5-Dimethyl-1,4-benzenediamine
분자식: C8H12N2
분자량: 136.19

이름 및 동의어

6393-01-72,5-Dimethylbenzene-1,4-diamine2,5-Dimethyl-1,4-benzenediamine2,5-DIMETHYL-P-PHENYLENEDIAMINE4-Amino-2,5-dimethylanilineCCRIS 81182,5-dimethylphenylene-1,4-diamineRE400VN2B4CHEBI:536131,4-dimethylphenylene-2,5-diamineEINECS 229-003-7DTXSID10213725

이름 더 보기

2,5-디메틸-1,4-벤젠디아민0/7/93AURORA KA-65691,4-DIAMINO-2,5-XYLENE2,5-Dimethylbenzol-1,4-diamin

2,5-dimethyl-para-phenylenediamineAMINO-2,5-DIMETHYLANILINE, 4-RefChem:444561DTXCID401362162,5-Dimethyl-1,4-phenylenediamineMFCD000526752,5-dimethyl-1,4-benzoquinonediamine2,5-Diamino-p-xylene

데이터베이스 식별자

CAS: 6393-01-7
PubChem CID: 160824
DTXSID: DTXSID10213725
ChEMBL: CHEMBL1795410
ChEBI: CHEBI:53613
UNII: RE400VN2B4
EC Number: 229-003-7
Nikkaji: J81.211K

물성

구조 계산 물성보충 중

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

물리화학적 성질

녹는점: 149 · 149-150 °C (lit.)
끓는 점: 281.1 · 281.1±35.0 °C(Predicted)
밀도: 1.076 · 1.076±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(소량으로 용해), DMSO(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 6.14 · 6.14±0.10(Predicted)
색상: 브라운부터 다크 베이지까지
InChI: InChI=1S/C8H12N2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,9-10H2,1-2H3
InChIKey: BWAPJIHJXDYDPW-UHFFFAOYSA-N
SMILES: C1(N)=CC(C)=C(N)C=C1C

화학적 성질

Greyish-brown crystalline powder

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 20-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22978

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 29215900
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-37/39-36/37/39
포장분류: II
위험 등급: 6.1(a)
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2,5-Dimethyl-1,4-phenylenediamine (cas# 6393-01-7) is a useful reagent for synthesis of novel Schiff-base type conjugative polymers.

상·하류 제품 정보

하류 제품

pentasodium 3-[[4-[[4-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,5-dimethylphenyl]azo]-2,5-disulphonatophenyl]azo]-4-hydroxy-5-(phenylamino)naphthalene-2,7-disulphonate

추가 설명

정의ChEBI: A primary arylamine that is p-xylene substituted at the 2 and 5 positions by amino groups. It is formally a reduction product of 2,5-dimethyl-1,4-benzoquinonediimine.

화합물 노트

불러오는 중…

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기본 정보

CAS: 6393-01-7
표준 SMILES: Cc1cc(N)c(C)cc1N
InChIKey: BWAPJIHJXDYDPW-UHFFFAOYSA-N
분자식: C8H12N2
평균 분자량: 136.19 g/mol
단동위원소 질량: 136.10004838

개요