Basic information
- CAS
64399-27-5- Standard SMILES
N#CC1(c2ccc(Cl)cc2)CC1- InChIKey
BVWSEHMDAKSWQW-UHFFFAOYSA-N- Molecular formula
- C10H8ClN
- Average molar mass
- 177.63 g/mol
- Monoisotopic mass
- 177.03452694
Names & identifiers
- Preferred name
- 1-(p-Chlorophenyl)cyclopropanecarbonitrile
- IUPAC
- 1-(4-chlorophenyl)cyclopropane-1-carbonitrile
- English name
- 1-(4-Chlorophenyl)-1-cyclopropanecarbonitrile
- Molecular formula
- C10H8ClN
- Molecular weight
- 177.63
Names & synonyms
1-(p-Chlorophenyl)cyclopropanecarbonitrileEINECS 264-871-0DTXSID00214645NSC 158282RefChem:428216DTXCID30137136264-871-01-(4-Chlorophenyl)cyclopropanecarbonitrile64399-27-51-(4-CHLOROPHENYL)-1-CYCLOPROPANECARBONITRILE1-(4-chlorophenyl)cyclopropane-1-carbonitrileMFCD00019211
Show more names
4-(1-Cyanocyclopropyl)chlorobenzene1-(4-Chlorophenyl)cyclopropan-carbonitrile1-(4-CHLORO-PHENYL)-CYCLOPROPANECARBONITRILE1-(4-Chlorophenyl)-1-cyclopropanecarbonitrile,98%1-(4-Chlorophenyl)-1-cyclopropane- carbonitrile 98%1-[3-[3-[4-(3,4-dimethylphenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]ethanone
Cyclopropanecarbonitrile, 1-(4-chlorophenyl)-1-(4-Chlorophenyl)cyclopropane carbonitrileCyclopropanecarbonitrile,1-(4-chlorophenyl)-NSC158282SCHEMBL648009AKOS003398995AB01254NSC-158282
Database identifiers
- CAS
64399-27-5- PubChem CID
- 98666
- DTXSID
DTXSID00214645- EC Number
- 264-871-0
- Nikkaji
- J126.360I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 52 · 52-56 °C
- Boiling point
- 292.84 °C · 292.84°C (rough estimate)
- Density
- 1.181 · 1.1810 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Light brown to yellow Solid
- InChI
- InChI=1S/C10H8ClN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-6H2
- InChIKey
- BVWSEHMDAKSWQW-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(Cl)C=C2)(C#N)CC1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 24 · 24/25
- HS Code
- 29269095 · 29269095
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2A (100%)
Safety data
- hs_code
- 29269095
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1-(4-Chlorophenyl)cyclopropanecarbonitrile
Upstream & downstream products
Downstream products
Suppliers54 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
武汉开诺医药科技有限公司18040571231/1402788087
上海鑫圭生物科技有限公司15121041756 · [email protected]
苏州市晨科生物科技有限公司18662408853 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
成都市佳和彬科技有限公司028-61186694 15608078506 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
苏州西博利生物科技有限公司17326194005 · [email protected]
Aladdin Scientific[email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
8 records
Compound notes
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