4-클로로벤즈하이드라자이드

4-Chlorobenzohydrazide

HCID 10816CAS 536-40-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NNC(=O)c1ccc(Cl)cc1
InChIKey: PKBGHORNUFQAAW-UHFFFAOYSA-N
분자식: C7H7ClN2O
평균 분자량: 170.59 g/mol
단동위원소 질량: 170.02469052

이름 및 식별자

우선 이름: 4-Chlorobenzohydrazide
IUPAC: 4-chlorobenzohydrazide
현지명: 4-클로로벤즈하이드라자이드
영어명: 4-CHLOROBENZHYDRAZIDE
분자식: C7H7ClN2O
분자량: 170.6

이름 및 동의어

4-Chlorobenzohydrazide536-40-34-Chlorobenzoylhydrazinep-Chlorobenzohydrazide4-Chlorobenzoic acid hydrazidep-ChlorobenzoylhydrazineBenzoic acid, 4-chloro-, hydrazidep-Chlorobenzoic hydrazidep-Chlorobenzoyl hydrazidep-Chlorobenzoic acid, hydrazideP-CHLOROBENZHYDRAZIDE4-Chlorobenzoyl hydrazide

이름 더 보기

4-클로로벤즈하이드라자이드INHd 15AKOS 92880AKOS BBS-00004505TIMTEC-BB SBB0038534-CHLOROBENZHYDRAZIDE

4-Chlorobenzoic acid, hydrazideNSC 54990Benzoic acid, p-chloro-, hydrazideDTXSID40201817EINECS 208-632-0RefChem:521948DTXCID70124308208-632-0

데이터베이스 식별자

CAS: 536-40-3
PubChem CID: 10816
DTXSID: DTXSID40201817
ChEMBL: CHEMBL125812
EC Number: 208-632-0
Nikkaji: J6.352E

물성

구조 계산 물성

XLogP: 1.1
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: 143

실험 및 물리화학적 성질

LogP1.12

물리화학적 성질

녹는점: 162 · 162-165 °C (lit.)
끓는 점: 170.6 °C · 170.60°C
밀도: 1.323 · 1.323
굴절률: 1.5618 · 1.5618 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 12.09 · 12.09±0.10(Predicted)
색상: 흰색에서 거의 흰색
BRN: 511154 · 511154
InChI: InChI=1S/C7H7ClN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChIKey: PKBGHORNUFQAAW-UHFFFAOYSA-N
SMILES: C(NN)(=O)C1=CC=C(Cl)C=C1

화학적 성질

white to light beige crystals, flakes or

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.9%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

안전 데이터

wgk: 3
HS 번호: 29280000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도4-Chlorobenzhydrazide has been used in preparation of:rod-shaped mesogenic hydrazide derivatives via Schotten-Baumann reaction with 4-n-alkoxybenzoyl chloride4-methoxybenzaldehyde-4-chlorophenyl-1-carbonyl hydrazone4-hydroxybenzaldehyde-4-chlorophenyl-1-carbonylhydrazone2-nitrobenzaldehyde-4-chlorophenyl-1-carbonylhydrazonebenzaldehyde-4-chlorophenyl-1-carbonylhydrazone

일반 설명Effect of acidic catalyst on the reaction of 4-chlorobenzhydrazide and β-naphthol in water has been investigated.