Basic information
- Standard SMILES
Nc1cc(C(F)(F)F)ccc1F- InChIKey
DRKWGMXFFCPZLW-UHFFFAOYSA-N- Molecular formula
- C7H5F4N
- Average molar mass
- 179.11 g/mol
- Monoisotopic mass
- 179.03581181
Names & identifiers
- Preferred name
- 2-Fluoro-5-(trifluoromethyl)aniline
- IUPAC
- 2-fluoro-5-(trifluoromethyl)aniline
- English name
- 2-Fluoro-5-(trifluoromethyl)aniline
- Molecular formula
- C7H5F4N
- Molecular weight
- 179.11
Names & synonyms
2-Fluoro-5-(trifluoromethyl)anilineRefChem:472461626-503-0535-52-43-Amino-4-fluorobenzotrifluoridealpha,alpha,alpha,6-Tetrafluoro-m-toluidineMFCD000076532-Fluoro-5-trifluoromethylaniline2-fluoro-5-(trifluoromethyl)phenylamine.alpha.,.alpha.,.alpha.,6-Tetrafluoro-m-toluidineBenzenamine, 2-fluoro-5-(trifluoromethyl)-3-Amino-4-fluorobenzotrifluoride; NSC 10327; alpha,alpha,alpha,6-Tetrafluoro-m-toluidine
Show more names
uoro-5-(trifLα,α,α,6-Tetrafluoro-m-toluidine4-FLUORO-3-AMINOBENZOTRIFLUORIDE3－amino－4－fluorobentozrifluoride3-amino-4-fluoro bensotrifluoride3-Amino-4-fluorobenzotrifluoride97%3-Amino-4-fluorobenzotrifluoride 97%4-FLUORO-3-AMINOBENZOTRIFLUORIDE 97%
NSC103272-fluoro-5-(trifluoromethyl)benzenamineSCHEMBL3094792-fluoro-5-trifluoromethylanilina,a,a,6-Tetrafluoro-m-toluidineDTXSID802017102-fluoro-5-trifloromethyl aniline2-fluoro-5-trifluoromethyl aniline
Database identifiers
- CAS
535-52-4- PubChem CID
- 136349
- DTXSID
DTXSID80201710- EC Number
- 626-503-0
- Nikkaji
- J149.710C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 155 °C · 155 °C (lit.)
- Density
- 1.378 g/mL · 1.378 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.461(lit.)
- Flash point
- 158 °F · 158 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- Chloroform, Methanol
- pka
- 1.98 · 1.98±0.10(Predicted)
- form
- Oil
- color
- Clear Colourless
- Specific Gravity
- 1.378 · 1.378
- BRN
- 1950800 · 1950800
- InChI
- InChI=1S/C7H5F4N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2
- InChIKey
- DRKWGMXFFCPZLW-UHFFFAOYSA-N
- SMILES
- C1(N)=CC(C(F)(F)F)=CC=C1F
- CAS DataBase Reference
- 535 · 535-52-4(CAS DataBase Reference)
- NIST Chemistry Reference
- 6 · Alpha,alpha,alpha,6-tetrafluoro-m-toluidine(535-52-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi,T
- Risk Statements
- 20 · 20/21/22-36/37/38-23-21/22
- Safety Statements
- 26 · 26-36/37-45-36/37/39
- RIDADR
- 2810 · UN2810/6.1/II
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
- HS Code
- 29214200 · 29214200
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (91.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (91.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (87%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN2810/6.1/II
- hs_code
- 29214200
- risk_code
- 20/21/22-36/37/38-23-21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi,T
- hazard_note
- Irritant
- safety_code
- 26-36/37-45-36/37/39
- hazard_class
- 6.1
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
Uses2-Fluoro-5-(trifluoromethyl)aniline may be used in chemical synthesis studies.
Upstream & downstream products
Upstream raw materials
Suppliers50 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]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
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韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
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嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
杭州东帆化学有限公司86-0571-85151182
南京唯博特医药科技有限公司18066048793; 18014498793 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
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四川海诺威科技有限公司13708085536 13708085536 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
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上海孚一生物科技有限公司+86 (21) 61124340
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Related reactions
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