Basic information
- CAS
261951-68-2- Standard SMILES
Cc1cc(CN)ccc1F- InChIKey
PQXWYQZQCWWMDQ-UHFFFAOYSA-N- Molecular formula
- C8H10FN
- Average molar mass
- 139.17 g/mol
- Monoisotopic mass
- 139.07972754
Names & identifiers
- Preferred name
- (4-Fluoro-3-methylphenyl)methanamine
- IUPAC
- (4-fluoro-3-methylphenyl)methanamine
- English name
- 4-Fluoro-3-methylbenzylamine
- Molecular formula
- C8H10FN
- Molecular weight
- 139.17
Names & synonyms
(4-fluoro-3-methylphenyl)methanamineRefChem:402835670-732-9261951-68-24-Fluoro-3-methylbenzylamineBenzenemethanamine, 4-fluoro-3-methyl-4-Fluoro-3-methylbenzyl amine(4-fluoro-3-methylphenyl)methylamine1-(4-fluoro-3-methylphenyl)methanamineMFCD01631490(4-fluoro-3-methyl-phenyl)methanamine4-Fluoro-3-methyl-benzylamine
Show more names
CAS:261951-68-2RARECHEM AL BW 21244-Fluoro-3-methylbenzylamine97%Benzenemethanamine, 4-fluoro-3-methyl- (9CI)4-fluoro-3-methylphenylhydrazine hydrochloride(4-Fluoro-3-methylphenyl)methylamine, 5-(Aminomethyl)-2-fluorotoluene
SCHEMBL521743-methyl-4-fluoro-benzylamine4-Fluoro-3-methyl benzylamineSCHEMBL2090687SCHEMBL29817987DTXSID80379120PQXWYQZQCWWMDQ-UHFFFAOYSA-NCK2413
Database identifiers
- CAS
261951-68-2- PubChem CID
- 2774599
- DTXSID
DTXSID80379120- EC Number
- 670-732-9
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 145 · 145
- Density
- 1.059 · 1.059
- Flash point
- 68 · 68
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- liquid
- pka
- 9.08 · 9.08±0.10(Predicted)
- color
- Faint green
- Sensitive
- Air Sensitive
- InChI
- 1S/C8H10FN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,5,10H2,1H3
- InChIKey
- PQXWYQZQCWWMDQ-UHFFFAOYSA-N
- SMILES
- Cc1cc(CN)ccc1F
- CAS DataBase Reference
- 261951 · 261951-68-2(CAS DataBase Reference)
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- WGK 3
- ridadr
- UN2735
- hs_code
- 2921490090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314-H318
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
Chemistry & industry
Suppliers70 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [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]
Allfluoro Pharmaceutical Company Limited
Related reactions
18 records
Compound notes
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