1,3,5-트리메틸피라졸

1,3,5-Trimethylpyrazole

HCID 14081CAS 1072-91-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(C)n(C)n1
InChIKey: HNOQAFMOBRWDKQ-UHFFFAOYSA-N
분자식: C6H10N2
평균 분자량: 110.16 g/mol
단동위원소 질량: 110.08439833

이름 및 식별자

우선 이름: 1,3,5-Trimethylpyrazole
IUPAC: 1,3,5-trimethylpyrazole
현지명: 1,3,5-트리메틸피라졸
영어명: 1,3,5-Trimethylpyrazole
분자식: C6H10N2
분자량: 110.16

이름 및 동의어

1,3,5-TRIMETHYLPYRAZOLE1072-91-91H-Pyrazole, 1,3,5-trimethyl-Pyrazole, 1,3,5-trimethyl-UNII-63938V7Z8263938V7Z82DTXSID70147951RefChem:72348DTXCID5070442626-960-6HNOQAFMOBRWDKQ-UHFFFAOYSA-N1,3,5-Trimethyl-1H-pyrazole

이름 더 보기

1,3,5-트리메틸피라졸AKOS PAO-1133BUTTPARK 153\57-40VITAS-BB TBB0006551,3,5,-Trimethylpyrazole,99%1,3,5-Trimethylpyrazole ,98%1,3,5,-TRIMETHYLPYRAZOLE 99%1,3,5-TriMethylpyrazole, 97+%

MFCD000155361,3,5-Trimethyl-1H-pyrazole;SCHEMBL29597SCHEMBL147208SCHEMBL293860SCHEMBL294386SCHEMBL790617orb3170274

데이터베이스 식별자

CAS: 1072-91-9
PubChem CID: 14081
DTXSID: DTXSID70147951
ChEBI: CHEBI:195104
UNII: 63938V7Z82
EC Number: 626-960-6
Nikkaji: J47.775C

물성

구조 계산 물성

XLogP: 1
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 82

실험 및 물리화학적 성질

Kovats Retention Index2197

물리화학적 성질

녹는점: 38 · 38-41 °C (lit.)
끓는 점: 168 · 168-170 °C
밀도: 0.93 · 0.93
굴절률: 1.4589 · 1.4589
인화점: 93 °F · 93 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to lump to clear liquid
산도 계수 (pKa): 3.3 · 3.30±0.10(Predicted)
색상: White or Colorless to Light yellow
BRN: 110515 · 110515
InChI: InChI=1S/C6H10N2/c1-5-4-6(2)8(3)7-5/h4H,1-3H3
InChIKey: HNOQAFMOBRWDKQ-UHFFFAOYSA-N
SMILES: N1(C)C(C)=CC(C)=N1
NIST: 1 · 1,3,5-Trimethylpyrazole(1072-91-9)

화학적 성질

White Low-Mekting Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H228 (100%): Flammable solid [Danger Flammable solids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesFlam. Sol. 2 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

안전 데이터

wgk: 3
ridadr: UN 1325 4.1/PG 3
HS 번호: 29331990
risk_code: 10-36/37/38
hazard_code: Xi,F
safety_code: 16-26-36
포장분류: III
위험 등급: 3
위험 참고 사항: Flammable
Hazard Classifications: Eye Irrit. 2Flam. Sol. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 4.1B - Flammable solid hazardous materials

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

4-브로모-1,3,5-트리메틸-1H-피라졸

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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

연결된 노트

불러오는 중…