CAS 1904-58-1 Benzoic acid, 2-amino-, hydrazide (HCID 94728)

기본 정보

CAS: 1904-58-1
표준 SMILES: NNC(=O)c1ccccc1N
InChIKey: GRWMSCBKWMQPON-UHFFFAOYSA-N
분자식: C7H9N3O
평균 분자량: 151.17 g/mol
단동위원소 질량: 151.07456191

이름 및 식별자

우선 이름: Benzoic acid, 2-amino-, hydrazide
IUPAC: 2-aminobenzohydrazide
영어명: 2-Aminobenzhydrazide
분자식: C7H9N3O
분자량: 151.17

이름 및 동의어

2-Aminobenzhydrazide2-AminobenzohydrazideBenzoic acid, 2-amino-, hydrazideo-AminobenzhydrazideAnthranilohydrazide2-Aminobenzoic acid hydrazide2-Aminobenzoylhydrazineo-Aminobenzoic hydrazideo-Aminobenzoic acid hydrazideNSC 642EINECS 217-604-7DTXSID5062051

이름 더 보기

AKOS B015275AKOS AU36-M377ANTHRANILHYDRAZIDEANTHRANILOYL HYDRAZINELABOTEST-BB LT00441124O-AMINOBENZOYLHYDRAZIDE

GRWMSCBKWMQPON-UHFFFAOYSA-oAminobenzhydrazide2AminobenzoylhydrazineoAminobenzoic hydrazideRefChem:565492oAminobenzoic acid hydrazide2Aminobenzoic acid hydrazideDTXCID1035997

데이터베이스 식별자

CAS: 1904-58-1
PubChem CID: 94728
DTXSID: DTXSID5062051
ChEMBL: CHEMBL126038
EC Number: 217-604-7
Nikkaji: J141.308B

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 81.1 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 149

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Hydrazides

Vapor Pressure0.00000314 [mmHg]

Physical DescriptionOff-white crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 121 · 121-125 °C(lit.)
끓는 점: 273.17 °C · 273.17°C (rough estimate)
밀도: 1.21 · 1.2100 (rough estimate)
굴절률: 1.586 · 1.5860 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 1 · pK1: 1.85;pK2: 3.47;pK3: 12.80 (25°C)
색상: 흰색에서 회색, 갈색까지
BRN: 742811 · 742811
InChI: 1S/C7H9N3O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,8-9H2,(H,10,11)
InChIKey: GRWMSCBKWMQPON-UHFFFAOYSA-N
SMILES: NNC(=O)c1ccccc1N

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.