(4-CHLORO-5-METHYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-아세트산

(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid

HCID 1876853

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 378758-70-4
표준 SMILES: Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)O
InChIKey: IZBZQUREHISXFJ-UHFFFAOYSA-N
분자식: C7H6ClF3N2O2
평균 분자량: 242.58 g/mol
단동위원소 질량: 242.00698977

이름 및 식별자

우선 이름: (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid
IUPAC: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
현지명: (4-CHLORO-5-METHYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-아세트산
영어명: (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid
분자식: C7H6ClF3N2O2
분자량: 242.58

이름 및 동의어

378758-70-4(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid2-(4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acidMFCD011149092-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid1H-Pyrazole-1-acetic acid, 4-chloro-5-methyl-3-(trifluoromethyl)-BAS 01058351SCHEMBL1119950DTXSID70365436ALBB-016319

이름 더 보기

(4-CHLORO-5-METHYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-아세트산AKOS B007227ART-CHEM-BB B007227TIMTEC-BB SBB0070322-[4-chloro-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]acetic acid

SBB007032STK349036AKOS000308250LS-05067DB-010695CS-0217742EN300-83586G19831

데이터베이스 식별자

CAS: 378758-70-4
PubChem CID: 1876853
DTXSID: DTXSID70365436
EC Number: 675-273-8

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 261

물리화학적 성질

끓는 점: 335.3 · 335.3±42.0 °C(Predicted)
밀도: 1.62 · 1.62±0.1 g/cm3(Predicted)
산도 계수 (pKa): 3.26 · 3.26±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.