5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile

HCID 219858CAS 5346-56-5

기본 정보

표준 SMILES
Cc1nn(-c2ccccc2)c(N)c1C#N
InChIKey
VWOYPUVIGCTVSC-UHFFFAOYSA-N
분자식
C11H10N4
평균 분자량
198.22 g/mol
단동위원소 질량
198.09054634

이름 및 식별자

우선 이름
5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile
IUPAC
5-amino-3-methyl-1-phenylpyrazole-4-carbonitrile
영어명
5-Amino-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile
분자식
C11H10N4
분자량
198.22

이름 및 동의어

5-amino-3-methyl-1-phenyl-1h-pyrazole-4-carbonitrileDTXSID60277312RefChem:532276DTXCID10228470670-612-65346-56-55-amino-4-cyano-3-methyl-1-phenyl-1h-pyrazole5-AMINO-3-METHYL-1-PHENYLPYRAZOLE-4-CARBONITRILEMFCD001282855-amino-4-cyano-3-methyl-1-phenylpyrazoleNSC16381H-Pyrazole-4-carbonitrile, 5-amino-3-methyl-1-phenyl-
이름 더 보기
TIMTEC-BB SBB0055175-Amino-3-methyl-1-phenyl-1H-pyrazole-4-2,5-dinitro-3-(1H-pyrrol-2-yl)-2H-1,3-benzoxazole
5-amino-3-methyl-1-phenyl-pyrazole-4-carbonitrileSCHEMBL2546236VWOYPUVIGCTVSC-UHFFFAOYSA-NALBB-031042NSC-1638NSC221277SBB005517STL427173

데이터베이스 식별자

CAS
5346-56-5
PubChem CID
219858
DTXSID
DTXSID60277312
EC Number
670-612-6
Nikkaji
J2.300.709F

물성

구조 계산 물성

XLogP
2.2
극성 표면적
67.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
15

물리화학적 성질

녹는점
129 °C · 129 °C
끓는 점
408.2 · 408.2±45.0 °C(Predicted)
밀도
1.23 · 1.23±0.1 g/cm3(Predicted)
저장 조건
2 · 2-8°C
산도 계수 (pKa)
-0.41 · -0.41±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 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 CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (100%);Skin Irrit. 2 (66.7%);Eye Irrit. 2 (66.7%);Acute Tox. 4 (100%);STOT SE 3 (66.7%)

안전 데이터

HS 번호
2933199090

화학 및 산업

공급사24 곳

河北凡博医药科技有限公司15588346797
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]

관련 반응

2건

연결된 노트

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