1H-피라졸-4-카르보닐클로라이드,1,3,5-트리메틸-(9CI)

trimethyl-1H-pyrazole-4-carbonyl chloride

HCID 13637622CAS 98298-63-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1nn(C)c(C)c1C(=O)Cl
InChIKey: UFNVZQRBSDFSPY-UHFFFAOYSA-N
분자식: C7H9ClN2O
평균 분자량: 172.61 g/mol
단동위원소 질량: 172.04034059

이름 및 식별자

우선 이름: trimethyl-1H-pyrazole-4-carbonyl chloride
IUPAC: 1,3,5-trimethylpyrazole-4-carbonyl chloride
현지명: 1H-피라졸-4-카르보닐클로라이드,1,3,5-트리메틸-(9CI)
영어명: 1H-Pyrazole-4-carbonyl chloride, 1,3,5-trimethyl- (9CI)
분자식: C7H9ClN2O
분자량: 172.61

이름 및 동의어

trimethyl-1H-pyrazole-4-carbonyl chlorideRefChem:899789991-757-498298-63-61,3,5-trimethyl-1H-pyrazole-4-carbonyl chloride1,3,5-Trimethylpyrazole-4-carbonyl chlorideMFCD034215891H-Pyrazole-4-carbonylchloride, 1,3,5-trimethyl-1H-Pyrazole-4-carbonyl chloride, 1,3,5-trimethyl-R7232SCHEMBL4205499DTXSID50545618

이름 더 보기

1H-피라졸-4-카르보닐클로라이드,1,3,5-트리메틸-(9CI)1,35-trimethylpyrazole-4-carbonyl chloride1,3,5-trimethylpyrazole-4-carboxylic acid chloride1H-Pyrazole-4-carbonyl chloride, 1,3,5-trimethyl- (9CI)

UFNVZQRBSDFSPY-UHFFFAOYSA-NALBB-009202STK505739AKOS005171987AS-9574DA-00065FT119258EN300-228574

데이터베이스 식별자

CAS: 98298-63-6
PubChem CID: 13637622
DTXSID: DTXSID50545618
EC Number: 991-757-4

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 34.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 67 · 67-68 °C
끓는 점: 140 · 140-150 °C(Press: 12 Torr)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
산도 계수 (pKa): 0.37 · 0.37±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.