3-(트리플루오로메틸)벤조일아세토니트릴

3-(Trifluoromethyl)benzoylacetonitrile

HCID 520304CAS 27328-86-5

기본 정보

표준 SMILES
N#CCC(=O)c1cccc(C(F)(F)F)c1
InChIKey
GEPORLBYZLQDOB-UHFFFAOYSA-N
분자식
C10H6F3NO
평균 분자량
213.16 g/mol
단동위원소 질량
213.0401483

이름 및 식별자

우선 이름
3-(Trifluoromethyl)benzoylacetonitrile
IUPAC
3-oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile
현지명
3-(트리플루오로메틸)벤조일아세토니트릴
영어명
3-(TRIFLUOROMETHYL)BENZOYLACETONITRILE
분자식
C10H6F3NO
분자량
213.16

이름 및 동의어

3-(TRIFLUOROMETHYL)BENZOYLACETONITRILERefChem:496380641-235-427328-86-53-Oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile3-oxo-3-(3-(trifluoromethyl)phenyl)propanenitrile2-Cyano-3'-(trifluoromethyl)acetophenone3-TrifluoromethylbenzoylacetonitrileMFCD000523153-Oxo-3-(3-trifluoromethyl-phenyl)-propionitrile2-Cyano-3 inverted exclamation mark -(trifluoromethyl)acetophenone3-(Frifluorome
이름 더 보기
3-(트리플루오로메틸)벤조일아세토니트릴3-(triflouromethyl)benzoylacetonitrile3-(Trifluoromethyl)benzoylacetonitrile97%3-(Trifluoromethyl)benzoylacetonitrile 97%β-Oxo-3-(trifluoromethyl)benzenepropanenitrileBenzenepropanenitrile, β-oxo-3-(trifluoromethyl)-3-Oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile, 3-(Cyanoacetyl)benzotrifluoride, 3-(2-Cyanoethanoyl)benzotrifluoride
3-(Frifluoromethyl)benzoylacetonitrileMaybridge1_000123MixCom1_000233SCHEMBL139194orb3030886SCHEMBL30951019DTXSID40334311Fr13220

데이터베이스 식별자

CAS
27328-86-5
PubChem CID
520304
DTXSID
DTXSID40334311
EC Number
641-235-4
Nikkaji
J1.494.702G

물성

구조 계산 물성

XLogP
2.4
극성 표면적
40.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
2
무거운 원자 수
15

물리화학적 성질

녹는점
60 · 60-62°C
끓는 점
280 · 280.0±40.0 °C(Predicted)
밀도
1.296 · 1.296±0.06 g/cm3(Predicted)
저장 조건
-20 °C · Storage temp. -20°C
용해도
클로로포름(매우 약간), DMSO (약간 용해됨)
물리적 상태
고체

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (20%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (20%): Toxic if inhaled [Danger Acute toxicity, inhalation];H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 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.

안전 데이터

ridadr
3439
HS 번호
2926907090
risk_code
20/21/22-36/37/38
hazard_code
T
safety_code
26-36/37/39
포장분류
III

화학 및 산업

응용 분야

용도3-(Trifluoromethyl)benzoylacetonitrile is used as a pharmaceutical intermediate.

공급사50 곳

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

관련 반응

5건

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