5-Phenyl-4,5-dihydro-1H-pyrazole

HCID 120841CAS 936-47-0

기본 정보

표준 SMILES: C1=NNC(c2ccccc2)C1
InChIKey: HNXVMLLBTMWOAM-UHFFFAOYSA-N
분자식: C9H10N2
평균 분자량: 146.19 g/mol
단동위원소 질량: 146.08439833

이름 및 식별자

우선 이름: 5-Phenyl-4,5-dihydro-1H-pyrazole
IUPAC: 5-phenyl-4,5-dihydro-1H-pyrazole
영어명: 4-(4-ethoxycarbonylphenyl)azobenzoic acid ethyl ester
분자식: C9H10N2
분자량: 146.19

이름 및 동의어

5-Phenyl-4,5-dihydro-1H-pyrazole5-Phenyl-2-pyrazoline1H-Pyrazole, 4,5-dihydro-5-phenyl-DTXSID00918297RefChem:103389DTXCID401347251840-312-1936-47-03-phenyl-3,4-dihydro-2H-pyrazoleSCHEMBL1178805SCHEMBL3684839HNXVMLLBTMWOAM-UHFFFAOYSA-N

이름 더 보기

4-(4-ethoxycarbonylphenyl)azobenzoic acid ethyl ester

AAA93647AKOS002669164AKOS016044690CS-0147993EN300-685073G54135

데이터베이스 식별자

CAS: 936-47-0
PubChem CID: 120841
DTXSID: DTXSID00918297
EC Number: 840-312-1
Nikkaji: J481.297B

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 24.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 148

물리화학적 성질

녹는점: 41 · 41-42 °C
끓는 점: 152.6 · 152.6-152.8 °C(Press: 15 Torr)
밀도: 1.1068 g/cm3 · 1.1068 g/cm3(Temp: 15.8 °C)
산도 계수 (pKa): 4.08 · 4.08±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.