Basic information
- CAS
90390-33-3- Standard SMILES
NCc1cc(F)cc(Cl)c1- InChIKey
XJCYOVBALKWQQC-UHFFFAOYSA-N- Molecular formula
- C7H7ClFN
- Average molar mass
- 159.59 g/mol
- Monoisotopic mass
- 159.0251051
Names & identifiers
- Preferred name
- 3-Chloro-5-fluorobenzylamine
- IUPAC
- (3-chloro-5-fluorophenyl)methanamine
- English name
- 3-CHLORO-5-FLUOROBENZYLAMINE
- Molecular formula
- C7H7ClFN
- Molecular weight
- 159.59
Names & synonyms
3-Chloro-5-fluorobenzylamineRefChem:500159679-279-190390-33-3(3-chloro-5-fluorophenyl)methanamineBenzenemethanamine, 3-chloro-5-fluoro-MFCD062137873-Chloro-5-fluorobenzyl amine1-(3-CHLORO-5-FLUOROPHENYL)METHANAMINE(3-chloro-5-fluoro-phenyl)methanamine3-Chloro-5-fluoro benzylamineAIDS011121
Show more names
Aids-0111213-Chloro-5-fluorobenzenemethanamine
SCHEMBL1765201RARECHEM AL BW 2336CHEMBL1178115SCHEMBL27694441SCHEMBL27694483SCHEMBL27714244DTXSID30238152XJCYOVBALKWQQC-UHFFFAOYSA-N
Database identifiers
- CAS
90390-33-3- PubChem CID
- 457616
- DTXSID
DTXSID30238152- ChEMBL
CHEMBL1178115- EC Number
- 679-279-1
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
- Boiling point
- 208.1 · 208.1±25.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 8.51 · 8.51±0.10(Predicted)
- form
- liquid
- color
- Clear, light yellow
- Sensitive
- Air Sensitive
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Hazard Codes
- C
- RIDADR
- 2735 · UN2735
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 2921490090 · 2921490090
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, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory.
Safety data
- ridadr
- UN2735
- hs_code
- 2921490090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_class
- 8
- 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)
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers57 total
韶远科技(上海)有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海复青化学科技有限公司13816107857 · [email protected]
盐城奥科联合医药科技有限公司0515-89701588 13770166955 · [email protected]
Qingdao Dexin Chemical Co., Ltd
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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