p-Toluohydrazide

HCID 77174

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3619-22-5
표준 SMILES: Cc1ccc(C(=O)NN)cc1
InChIKey: MFFVZXOPRXMVET-UHFFFAOYSA-N
분자식: C8H10N2O
평균 분자량: 150.18 g/mol
단동위원소 질량: 150.07931294

이름 및 식별자

우선 이름: p-Toluohydrazide
IUPAC: 4-methylbenzohydrazide
영어명: P-TOLUIC HYDRAZIDE
분자식: C8H10N2O
분자량: 150.18

이름 및 동의어

4-Methylbenzohydrazide3619-22-5p-Toluic hydrazidep-Toluoylhydrazinep-Toluohydrazidep-Methylbenzohydrazidep-Toluic acid, hydrazideBenzoic acid, 4-methyl-, hydrazide4-Methylbenzoic acid hydrazidep-Methylbenzoylhydrazine4-Methylbenzoylhydrazine4-Toluic hydrazide

이름 더 보기

AKOS BBS-00004511LABOTEST-BB LT00454017p-Toluichydrazide,98+%

4-Toluic acid hydrazidep-Methylbenzoic acid hydrazide4-Methylbenzhydrazide4-Methylbenzoylhydrazide(4-Methylbenzoyl)hydrazineNSC 615674-METHYLBENZOIC HYDRAZIDE4-TOLUIHYDRAZIDE

데이터베이스 식별자

CAS: 3619-22-5
PubChem CID: 77174
DTXSID: DTXSID30189756
ChEMBL: CHEMBL4126349
UNII: M48968U0YD
EC Number: 222-815-2
Nikkaji: J124.088I

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 139

실험 및 물리화학적 성질

LogP0.73

물리화학적 성질

녹는점: 116 · 116-118 °C (lit.)
끓는 점: 271.72 °C · 271.72°C (rough estimate)
밀도: 1.1392 · 1.1392 (rough estimate)
굴절률: 1.618 · 1.6180 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 12.8 · 12.80±0.10(Predicted)
색상: 흰색에서 거의 흰색
BRN: 607602 · 607602
InChI: 1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
InChIKey: MFFVZXOPRXMVET-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)C(=O)NN

화학적 성질

White to slightly brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.