3-(tert-부틸)-1-메틸-1H-피라졸-5-카보닐클로라이드

3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride

HCID 2735684

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 160842-62-6
표준 SMILES: Cn1nc(C(C)(C)C)cc1C(=O)Cl
InChIKey: SJGURXGUNLVMAQ-UHFFFAOYSA-N
분자식: C9H13ClN2O
평균 분자량: 200.66 g/mol
단동위원소 질량: 200.07164072

이름 및 식별자

우선 이름: 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride
IUPAC: 3-tert-butyl-1-methylpyrazole-5-carbonyl chloride
현지명: 3-(tert-부틸)-1-메틸-1H-피라졸-5-카보닐클로라이드
영어명: 3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carbonyl chloride
분자식: C9H13ClN2O
분자량: 200.67

이름 및 동의어

160842-62-63-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl ChlorideDTXSID50370881RefChem:275983DTXCID103219155-tert-butyl-2-methylpyrazole-3-carbonyl chloride3-tert-butyl-1-methyl-1h-pyrazole-5-carbonyl chlorideMFCD000849163-(tert-butyl)-1-methylpyrazole-5-carbonylchloride1H-Pyrazole-5-carbonyl chloride, 3-(1,1-dimethylethyl)-1-methyl-3-(tert-Butyl)-1-methylpyrazole-5-carbonyl chloride5-tert-Butyl-2-methyl-2H-pyrazole-3-carbonyl chloride

이름 더 보기

3-(tert-부틸)-1-메틸-1H-피라졸-5-카보닐클로라이드BUTTPARK 43\57-64TIMTEC-BB SBB0054643-(tert-Butyl)-1-methylpyrazole-5-carbonyl5-tert-butyl-2-methyl-3-pyrazolecarbonyl chloride1H-Pyrazole-5-carbonyl chloride, 3-(1,1-dimethylethyl)-1-methyl- (9CI)3-(tert-Butyl)-5-(chlorocarbonyl)-1-methyl-1H-pyrazole, 3-(tert-Butyl)-5-(chloroformyl)-1-methyl-1H-pyrazole

SCHEMBL350765SJGURXGUNLVMAQ-UHFFFAOYSA-NSBB005464AKOS015911982PS-10747DB-043469F0172203-(tert-butyl)-1-methyl-1h-pyrazole-5-carbonylchloride

데이터베이스 식별자

CAS: 160842-62-6
PubChem CID: 2735684
DTXSID: DTXSID50370881
EC Number: 672-870-5
Nikkaji: J1.048.908C

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 34.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 212

물리화학적 성질

끓는 점: 117 °C · 117 °C
밀도: 1.16 · 1.16±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 0.38 · 0.38±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+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

ridadr: 3265
HS 번호: 2933199090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39
위험 등급: 8
위험 참고 사항: Corrosive

화학 및 산업

상·하류 제품 정보

상류 원료

공급사26 곳

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武汉凯威斯科技有限公司86-027-67849912 · [email protected]

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

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