Basic information
- CAS
214262-99-4- Standard SMILES
O=C(O)C1(c2ccc(F)cc2)CCCC1- InChIKey
VVMRZYODYMBLRJ-UHFFFAOYSA-N- Molecular formula
- C12H13FO2
- Average molar mass
- 208.23 g/mol
- Monoisotopic mass
- 208.08995788
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)cyclopentanecarboxylic acid
- IUPAC
- 1-(4-fluorophenyl)cyclopentane-1-carboxylic acid
- English name
- 1-(4-Fluorophenyl)cyclopentanecarboxylic acid, 98
- Molecular formula
- C12H13FO2
- Molecular weight
- 208.23
Names & synonyms
1-(4-fluorophenyl)cyclopentanecarboxylic acid214262-99-41-(4-fluorophenyl)cyclopentane-1-carboxylic AcidDTXSID40352939RefChem:425619DTXCID30304003878-145-1MFCD00800626Cyclopentanecarboxylic acid, 1-(4-fluorophenyl)-1-(4-fluorophenyl)cyclopentanecarboxylicacidSCHEMBL1421838VVMRZYODYMBLRJ-UHFFFAOYSA-N
Show more names
1-(4-FLUOROPHENYL)CYCLOPENTANECARBOXYLIC ACID 98%1-(4-Fluorophenyl)cyclopentanecarboxylic acid, 981-(4-Fluorophenyl)cyclopentanecarboxylic acid, 98% 5GR1-(4-Fluorophenyl)cyclopentane-1-carboxylic acid - [F93373]
SBB005757AKOS000101722AB90938BS-11728SY168503CS-0132694ST50306887EN300-21604
Database identifiers
- CAS
214262-99-4- PubChem CID
- 736133
- DTXSID
DTXSID40352939- EC Number
- 878-145-1
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 160 °C · 160 °C
- Boiling point
- 334.2 · 334.2±35.0 °C(Predicted)
- Density
- 1.1262 · 1.1262 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 4.36 · 4.36±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 29163900 · 29163900
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29163900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers38 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [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]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
常州锐博生物科技有限公司0519-81884608 18205027398 · [email protected]
苏州市晨科生物科技有限公司18662408853 · [email protected]
菏泽博揽生物医药科技有限公司17686525805 17686525805 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [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]
上海平果医药科技有限公司021-20432229 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
career henan chemical co+86-0371-86658258 · [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]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
上海研邦医药科技有限公司15618536883 · [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]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
Related reactions
31 records
Compound notes
Loading…