N-Methyl-o-phenylenediamine (HCID 78498)

이름 및 식별자

우선 이름: N-Methyl-o-phenylenediamine
IUPAC: 2-N-methylbenzene-1,2-diamine
영어명: N-Methylbenzene-1,2-diamine
분자식: C7H10N2
분자량: 122.17

이름 및 동의어

4760-34-3N-Methyl-o-phenylenediamineN-Methyl-1,2-phenylenediamine1,2-Benzenediamine, N-methyl-N-Methyl-1,2-benzenediamine2-(Methylamino)aniline2-Amino-N-methylanilineo-Phenylenediamine, N-methyl-1,2-Benzenediamine, N1-methyl-UNII-ROI30FPR50EINECS 225-297-6ROI30FPR50

이름 더 보기

N1-methylbenzene-1,2-diamineN-1-met-1,2-phenyLN-methyl-O-PhenylTelmisartan Impurity STelmisartan Impurity 11n-methyl-2-benzenediamine

N-Methyl-1,2-diaminobenzeneBRN 0636586DTXSID10437564-13-00-00041 (Beilstein Handbook Reference)RefChem:163775DTXCID9023756225-297-6RPKCLSMBVQLWIN-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 4760-34-3
PubChem CID: 78498
DTXSID: DTXSID1043756
UNII: ROI30FPR50
EC Number: 225-297-6
Nikkaji: J94.718K

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 38.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 83

물리화학적 성질

녹는점: 22 °C · 22 °C (lit.)
끓는 점: 123 · 123-124 °C/10 mmHg (lit.)
밀도: 1.075 g/mL · 1.075 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.612(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 6.17 · 6.17±0.10(Predicted)
물리적 상태: 액체
색상: 투명한 노란색에서 빨간색, 진한 갈색까지
InChI: 1S/C7H10N2/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,8H2,1H3
InChIKey: RPKCLSMBVQLWIN-UHFFFAOYSA-N
SMILES: CNc1ccccc1N
EPA: 1 · 1,2-Benzenediamine, N-methyl- (4760-34-3)

안전 및 규제

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, P321, P330, P332+P317, P337+P317, P362+P364, 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. 4 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: ST2770000
HS 번호: 29215900
risk_code: 20/21/22-36/38-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information1,2-Benzenediamine, N1-methyl-: INACTIVE

응용 분야 · 2건

용도N-Methyl-1,2-phenylenediamine may be used in the following studies:One-pot synthesis of 1-methyl-2(hetero)arylbenzimidazoles.Preparation of 1-methyl-1H-benzimidazole-2(3H)-thione.Total synthesis of the angiotensin II receptor antagonist, telmisartan. Preparation of benzimidazoles from ketene dithioacetals.

일반 설명N-Methyl-1,2-phenylenediamine is an ortho-diamine. In situ generated diazonium cations of N-methyl-1,2-phenylenediamine were used for the electrochemical modification of glassy carbon electrode.