3-(tert-부틸)-1-메틸-1H-피라졸-5-카르복실산

3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid

HCID 720529CAS 175277-11-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1nc(C(C)(C)C)cc1C(=O)O
InChIKey: SFSXXMXHJOSBAZ-UHFFFAOYSA-N
분자식: C9H14N2O2
평균 분자량: 182.22 g/mol
단동위원소 질량: 182.10552769

이름 및 식별자

우선 이름: 3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid
IUPAC: 3-tert-butyl-1-methylpyrazole-5-carboxylic acid
현지명: 3-(tert-부틸)-1-메틸-1H-피라졸-5-카르복실산
영어명: 3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carboxylic acid
분자식: C9H14N2O2
분자량: 182.22

이름 및 동의어

3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acidRefChem:505349874-977-4175277-11-93-(tert-butyl)-1-methyl-1h-pyrazole-5-carboxylic acid3-tert-butyl-1-methylpyrazole-5-carboxylic acid1H-Pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-methyl-5-tert-butyl-2-methylpyrazole-3-carboxylic acidMFCD001738125-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic acid3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carboxylicacid3-(tert-butyl)-1-methylpyrazole-5-carboxylic acid

이름 더 보기

3-(tert-부틸)-1-메틸-1H-피라졸-5-카르복실산BUTTPARK 52\11-22TIMTEC-BB SBB0102223-(tert-Butyl)-5-carboxy-1-methyl-1H-pyrazole3-(T-BUTYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID5-tert-Butyl-2-methyl-2H-pyrazol-3-carboxylic acid3-(tert-Butyl)-1-methyl-1H-pyrazole-carboxylic acid5-TERT-BUTYL-2-METHYL-2 H-PYRAZOLE-3-CARBOXYLIC ACID

Maybridge1_0086713-tert-Butyl-1-methylpyrazole-5-carboxylicAcidMLS000714800SCHEMBL1572486CHEMBL1359408HMS566C03DTXSID70352164SFSXXMXHJOSBAZ-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 175277-11-9
PubChem CID: 720529
DTXSID: DTXSID70352164
ChEMBL: CHEMBL1359408
EC Number: 874-977-4

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 210

실험 및 물리화학적 성질

Solubility>27.3 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 151 °C · 151 °C
끓는 점: 317.7 · 317.7±30.0 °C(Predicted)
밀도: 1.13 · 1.13
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 3.15 · 3.15±0.25(Predicted)

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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2933199090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-37/39
위험 등급: IRRITANT

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

1H-Pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-methyl-4-nitro-3-(tert-부틸)-1-메틸-1H-피라졸-5-카보닐클로라이드

공급사50 곳

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

연결된 노트

불러오는 중…