Basic information
- CAS
367-29-3- Standard SMILES
Cc1ccc(F)cc1N- InChIKey
JLCDTNNLXUMYFQ-UHFFFAOYSA-N- Molecular formula
- C7H8FN
- Average molar mass
- 125.14 g/mol
- Monoisotopic mass
- 125.06407748
Names & identifiers
- Preferred name
- 5-Fluoro-o-toluidine
- IUPAC
- 5-fluoro-2-methylaniline
- English name
- 5-Fluoro-2-methylaniline
- Molecular formula
- C7H8FN
- Molecular weight
- 125.14
Names & synonyms
5-Fluoro-o-toluidineEINECS 206-689-6DTXSID10190143NSC 60730RefChem:535966DTXCID20112634206-689-65-Fluoro-2-methylaniline367-29-32-Amino-4-fluorotoluene3-fluoro-6-methylanilineBenzenamine, 5-fluoro-2-methyl-
Show more names
2-METHYL-5-FLUOROANILINE2-Amino-4-fluorotoluene~5-Fluoro-o-toluidineTIMTEC-BB SBB0042665-Fluoro-2-methylani5-Fluoro-2-toluidineFluoromethylaniline74-Fluoro-2-Aminotoluene2-Ankyl-4-fluorotoluene
5-Fluoro-2-methyl-anilineMFCD000077645-fluoro-2-methylphenylamineNSC-607305-Fluoro-2-methyl-phenylamine5-FluorotoluidineNSC60730VHR6M7NXK6
Database identifiers
- CAS
367-29-3- PubChem CID
- 67774
- DTXSID
DTXSID10190143- UNII
- VHR6M7NXK6
- EC Number
- 206-689-6
- Nikkaji
- J85.091H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.9
Physicochemical properties
- Melting point
- 38 · 38-40 °C (lit.)
- Boiling point
- 98 · 98-100°C 15mm
- Density
- 1.13 g/cm3 · 1.13 g/cm3 (20℃)
- refractive index
- 1.538 · 1.538
- Flash point
- 194 °F · 194 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- form
- Crystalline Solid or Liquid
- pka
- 3.44 · 3.44±0.10(Predicted)
- color
- Purple to brown
- Water Solubility
- insoluble
- BRN
- 2637584 · 2637584
- InChI
- InChI=1S/C7H8FN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
- InChIKey
- JLCDTNNLXUMYFQ-UHFFFAOYSA-N
- SMILES
- C1(N)=CC(F)=CC=C1C
- CAS DataBase Reference
- 367 · 367-29-3(CAS DataBase Reference)
- NIST Chemistry Reference
- 5 · 5-Fluoro-2-methylaniline(367-29-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS06,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335-H302-H311-H332-H373
- Precautionary statements
- 261 · P261-P280-P301+P312+P330-P305+P351+P338-P260-P304+P340-P405-P501a-P264-P270-P271-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,T,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38-23/24/25
- Safety Statements
- 26 · 26-27-36/37/39-45-36
- RIDADR
- 1325 · UN 1325 4.1/PG 2
- WGK Germany
- 3 · 3
- Hazard Note
- Toxic/Irritant
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29214300 · 29214300
- Storage Class
- 4.1 B · 4.1B - Flammable solid hazardous materials
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Limited Quantities
- 1 Kg · 1.0 Kg (2.2 lbs)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information5-FLUORO-2-METHYLANILINE: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (98%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1325 4.1/PG 2
- hs_code
- 29214300
- risk_code
- 20/21/22-36/37/38-23/24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06,GHS08
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic/Irritant
- safety_code
- 26-27-36/37/39-45-36
- hazard_class
- 6.1
- Storage Class
- 4.1B - Flammable solid hazardous materials
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335-H302-H311-H332-H373
- Limited Quantities
- 1.0 Kg (2.2 lbs)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312+P330-P305+P351+P338-P260-P304+P340-P405-P501a-P264-P270-P271-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Chemistry & industry
Applications
UsesUsed as a pharmaceutical intermediate in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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Related reactions
35 records
Compound notes
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