1-(3-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid

HCID 4423672CAS 241799-33-7

기본 정보

표준 SMILES: Cc1c(C(=O)O)cnn1-c1cccc(Cl)c1
InChIKey: KGGIPUUYWUXTSR-UHFFFAOYSA-N
분자식: C11H9ClN2O2
평균 분자량: 236.65 g/mol
단동위원소 질량: 236.0352552

이름 및 식별자

우선 이름: 1-(3-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
IUPAC: 1-(3-chlorophenyl)-5-methylpyrazole-4-carboxylic acid
영어명: 1-(3-Chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
분자식: C11H9ClN2O2
분자량: 236.65

이름 및 동의어

1-(3-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid241799-33-7DTXSID40403137RefChem:224332DTXCID903539911-(3-chlorophenyl)-5-methylpyrazole-4-carboxylic acidMFCD04122759SCHEMBL60524351-(3-chlorophenyl)-5-methyl-pyrazole-4-carboxylic AcidKGGIPUUYWUXTSR-UHFFFAOYSA-NAKOS000189050DA-31202

이름 더 보기

SALOR-INT L317683-1EA1H-Pyrazole-4-carboxylic acid, 1-(3-chlorophenyl)-5-methyl-

SY169204CS-0215963EN300-31550G224855-methyl-1-(3-chlorophenyl)pyrazole-4-carboxylic acidZ3160876021-(3-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylicacid

데이터베이스 식별자

CAS: 241799-33-7
PubChem CID: 4423672
DTXSID: DTXSID40403137
EC Number: 979-094-9

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 275

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.