4-Methoxy-o-phenylenediamine

HCID 153404CAS 102-51-2

기본 정보

표준 SMILES: COc1ccc(N)c(N)c1
InChIKey: AGAHETWGCFCMDK-UHFFFAOYSA-N
분자식: C7H10N2O
평균 분자량: 138.17 g/mol
단동위원소 질량: 138.07931294

이름 및 식별자

우선 이름: 4-Methoxy-o-phenylenediamine
IUPAC: 4-methoxybenzene-1,2-diamine
영어명: 4-Methoxy-o-phenylenediamine
분자식: C7H10N2O
분자량: 138.17

이름 및 동의어

4-Methoxy-o-phenylenediamine4-methoxy-1,2-phenylenediamineRefChem:524698600-319-03,4-Diaminoanisole102-51-24-methoxybenzene-1,2-diamine1,2-Benzenediamine, 4-methoxy-4-Methoxy-1,2-benzenediamine1,2-Diamino-4-methoxybenzene2-amino-4-methoxyphenylamineMFCD00047837

이름 더 보기

3,4-DiaminoanisoL3,4-DIAMINO ANISOLE3,4-Diaminoanisidine4-Methoxy-2-aMinoaniline2-DiaMino-4-Methoxybenzene4-methoxy-2-benzenediamine4-methoxy-o-phenylenediaminp-Methoxy-o-phenylenediaMine

o-Phenylenediamine, 4-methoxy-4-Methoxy-1,2-diaminobenzene2-Amino-4-methoxy aniline1,2-diamino-4-methoxy-benzeneSTR02678AKOS000103845CS-W001175SY032808

데이터베이스 식별자

CAS: 102-51-2
PubChem CID: 153404
DTXSID: DTXSID00144514
UNII: 57B24QB262
EC Number: 600-319-0
Nikkaji: J141.525E

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 61.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 108

물리화학적 성질

녹는점: 46 · 46-48°C
끓는 점: 253.57 °C · 253.57°C (rough estimate)
밀도: 1.1315 · 1.1315 (rough estimate)
굴절률: 1.52 · 1.5200 (estimate)
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: 디메틸설폭사이드와 메탄올에 용해됩니다.
물리적 상태: 고체
색상: 다크 브라운에서 블랙 오일까지
InChI: InChI=1S/C7H10N2O/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
InChIKey: AGAHETWGCFCMDK-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(OC)C=C1N

화학적 성질

Dark Brownish Black Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301+H311+H331 (11.1%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, 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 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

안전 데이터

ridadr: 2811
HS 번호: 2922190090
risk_code: 23/24/25-36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-45
위험 등급: 6.1
위험 참고 사항: Irritant

화학 및 산업

응용 분야 · 1건

용도4-Methoxy-o-phenylenediamine is widely used as an intermediate in organic synthesis and pharmaceuticals. It is an important precursor for the synthesis of other heterocyclic compounds. It is used in the determination of glyoxal, methylglyoxal, and diacetyl in urine using 4-methoxy-o-phenylenediamine as a derivatizing reagent by High-performance liquid chromatography (HPLC).