Basic information
- CAS
72235-56-4- Standard SMILES
NCc1ccc(F)c(Cl)c1- InChIKey
LQAUXDMGRBWDIU-UHFFFAOYSA-N- Molecular formula
- C7H7ClFN
- Average molar mass
- 159.59 g/mol
- Monoisotopic mass
- 159.02510512
Names & identifiers
- Preferred name
- 3-Chloro-4-fluorobenzylamine
- IUPAC
- (3-chloro-4-fluorophenyl)methanamine
- English name
- 3-Chloro-4-fluorobenzylamine
- Molecular formula
- C7H7ClFN
- Molecular weight
- 159.59
Names & synonyms
3-Chloro-4-fluorobenzylamine72235-56-4DTXSID60222549RefChem:499970DTXCID40145040670-917-4(3-chloro-4-fluorophenyl)methanamine1-(3-chloro-4-fluorophenyl)methanamine3-chloro-4-fluorobenzyl amineMFCD00042507SCHEMBL424214-Fluoro-3-Chloro benzylamine
Show more names
RARECHEM AL BW 02993-Chloro-4-fluorobenzylamine97%3-Chloro-4-fluorobenzylamine 97%3-Chloro-4-fluorobenzylamine >3-Chloro-4-fluorobenzylamine ,99%
EN300-64155CL8685AKOS005171537SY003467(3-chloro-4-fluorophenyl)methylamineBenzenemethanamine, 3-chloro-4-fluoro-4-Fluoro-3-chlorobenzylamine3-chloro-4-fluorobenzenemethanamine
Database identifiers
- CAS
72235-56-4- PubChem CID
- 144539
- DTXSID
DTXSID60222549- EC Number
- 670-917-4
- Nikkaji
- J308.949E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Melting point
- 262 · 262-263 °C(Solv: N,N-dimethylformamide (68-12-2))
- Boiling point
- 111 °C · 111 °C
- Density
- 1.27 g/ml · 1.27g/ml
- refractive index
- 1.536 · 1.536
- Flash point
- 104 · 104-105°C/15mm
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- clear liquid
- pka
- 8.72 · 8.72±0.10(Predicted)
- color
- Colorless to Light orange to Yellow
- Sensitive
- Air Sensitive
- BRN
- 8614630 · 8614630
- CAS DataBase Reference
- 72235 · 72235-56-4(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 227 · H227-H314-H318
- Precautionary statements
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 8 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. 1C (100%)
Safety data
- ridadr
- 2735
- hs_code
- 29214200
- risk_code
- 34-41-37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-39-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H227-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)
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a-P210-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405-P501
Chemistry & industry
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
安徽合诺生物科技有限公司0555-2761852
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Ark Pharm, Inc.847-367-3680 · [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]
Related reactions
13 records
Compound notes
Loading…