Basic information
- CAS
51336-95-9- Standard SMILES
O=C(CCl)c1ccc(F)c(F)c1- InChIKey
VMEDAWUIKFAFJQ-UHFFFAOYSA-N- Molecular formula
- C8H5ClF2O
- Average molar mass
- 190.57 g/mol
- Monoisotopic mass
- 189.9996989
Names & identifiers
- Preferred name
- 2-Chloro-1-(3,4-difluorophenyl)ethanone
- IUPAC
- 2-chloro-1-(3,4-difluorophenyl)ethanone
- English name
- 2-Chloro-1-(3,4-difluoro-phenyl)-ethanone
- Molecular formula
- C8H5ClF2O
- Molecular weight
- 190.57
Names & synonyms
51336-95-92-chloro-1-(3,4-difluorophenyl)ethanoneEC 610-651-8RefChem:468346610-651-82-Chloro-1-(3,4-difluoro-phenyl)-ethanone2-Chloro-3',4'-difluoroacetophenone2-chloro-1-(3,4-difluorophenyl)ethan-1-oneMFCD039668883,4-DIFLUOROPHENACYL CHLORIDETicagrelor Impurity 91a-Chloro-3,4-difluoroacetophenone
Show more names
Ticagrelor Impurity 148α-Chloro-3,4-difluorobenzophenone2-chloro-1(3,4-difuorophenyl)ethanoneEthanone,2-chloro-1-(3,4-difluorophenyl)-
1-(3,4-difluorophenyl)-2-chloroethan-1-one2-CHLORO-3,4-DIFLUOROACETOPHENONE2-Chloro-1-(3,4-difluoro-phenyl)ethanoneEthanone, 2-chloro-1-(3,4-difluorophenyl)-Fluconazole Impurity 6SCHEMBL247898CHEMBL5282020SCHEMBL29464070
Database identifiers
- CAS
51336-95-9- PubChem CID
- 2392321
- DTXSID
DTXSID40368434- ChEMBL
CHEMBL5282020- EC Number
- 610-651-8
- Nikkaji
- J1.376.121C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 31 · 31-32 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 256.3 · 256.3±25.0 °C(Predicted)
- Density
- 1.353 · 1.353±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Methanol
- form
- powder to lump
- color
- White to Light yellow
- Sensitive
- Lachrymatory
- InChI
- InChI=1S/C8H5ClF2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2
- InChIKey
- VMEDAWUIKFAFJQ-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=C(F)C(F)=C1)CCl
- CAS DataBase Reference
- 51336 · 51336-95-9(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H290
- Precautionary statements
- 501 · P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
- Hazard Codes
- C,Xi
- RIDADR
- 3261 · UN 3261 8/PG II
- HazardClass
- IRRITANT
- PackingGroup
- II
- HS Code
- 2914790090 · 2914790090
- REACH Registrations
- Active
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
Danger
H290 (20%): May be corrosive to metals [Warning Corrosive to Metals]
P233, P234, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P390, P403, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 07-10-2009 https://echa.europa.eu/registration-dossier/-/registered-dossier/1864
Hazard Classes and CategoriesMet. Corr. 1 (20%)
Safety data
- ridadr
- UN 3261 8/PG II
- hs_code
- 2914790090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_class
- IRRITANT
- packing_group
- II
- Hazard statements
- H314-H290
- REACH Registrations
- Active
- Precautionary statements
- P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Chemistry & industry
Applications
Uses2-Chloro-1-(3,4-difluoro-phenyl)-ethanone is mainly used as an organic synthesis intermediate component. It can be used to prepare (1R,2R)-Ethyl 2-(3,4-difluorophenyl)cyclopropanecarboxylate, (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (R)-2-hydroxy-2- phenylacetate, and 2-Arylcyclopropylamines.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
唐山默内德贸易有限公司+86-315-8309571 +86-15633399667 · [email protected]
上海萨科化学有限公司021-53292253 · [email protected]
Syntor Fine Chemicals Ltd.+44 (0) 1928 579865 · [email protected]
Syntor Fine Chemicals Ltd.+44 (0) 1928 579865 · [email protected]
江苏恒沛药物科技有限公司65218020 18248732722
石家庄速晨生物科技有限公司186-33933494 18032288352
上海遐瑞医药科技有限公司+86 21 61551611
南京诺利斯医药科技有限公司13901585132 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
重庆星灿医药科技有限公司13594048950 19923294409 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
天津安浩生物科技有限公司[email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
广州凯茜医药科技有限公司18826273338 · [email protected]
湖南欣贝莱生物医药有限公司19967306995 19967306995 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
桦特昇生物科技（武汉）有限公司027-59207879 1972026995 18140587686 · [email protected]
Related reactions
4 records
Compound notes
Loading…