Basic information
- CAS
784-38-3- Standard SMILES
Nc1ccc(Cl)cc1C(=O)c1ccccc1F- InChIKey
GTGMXPIQRQSORU-UHFFFAOYSA-N- Molecular formula
- C13H9ClFNO
- Average molar mass
- 249.67 g/mol
- Monoisotopic mass
- 249.03566981
Names & identifiers
- Preferred name
- 2-Amino-5-chloro-2'-fluorobenzophenone
- IUPAC
- (2-amino-5-chlorophenyl)-(2-fluorophenyl)methanone
- English name
- 2-Amino-5-chloro-2'-fluorobenzophenone
- Molecular formula
- C13H9ClFNO
- Molecular weight
- 249.67
Names & synonyms
2-Amino-5-chloro-2'-fluorobenzophenone784-38-3DTXSID50578322-Amino-2'-fluoro-5-chlorobenzophenoneEINECS 212-316-8DTXCID6031621Benzophenone, 2-amino-5-chloro-2'-fluoro-RefChem:85254212-316-8GTGMXPIQRQSORU-UHFFFAOYSA-N(2-Amino-5-chlorophenyl)(2-fluorophenyl)methanoneMFCD00038381
Show more names
2--5--2''-Fluoroamino ketoneTIMTEC-BB SBB0031512-Amino-5-chloro-2'-Lorazepam Impurity 23LABOTEST-BB LT004411412-Amino-5-chloro-2'-fluorobenz2-Amino-5-chlor-2'-fluorbenzophenon2-Amino-5-Chloro-2'-Fluroenzophenone2-AMINO-5-CHLORO-2,FLURO BENZOPHEONE
Methanone, (2-amino-5-chlorophenyl)(2-fluorophenyl)-(2-amino-5-chlorophenyl)-(2-fluorophenyl)methanone5-Chloro-2-amino-2'-fluorobenzophenone4-chloro-2-(2-fluorobenzoyl)aniline2-amino-5-chlorophenyl 2-fluorophenyl ketone2-Amino-5-chloro-2 inverted exclamation mark -fluorobenzophenone(2-amino-5-chloro-phenyl)-(2-fluorophenyl)methanoneSCHEMBL333224
Database identifiers
- CAS
784-38-3- PubChem CID
- 69912
- DTXSID
DTXSID5057832- ChEMBL
CHEMBL3183508- EC Number
- 212-316-8
- Nikkaji
- J144.040C
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 95 · 95-98 °C(lit.)
- Boiling point
- 207 C · 207C
- Density
- 1.3134 · 1.3134 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -1.05 · -1.05±0.10(Predicted)
- color
- Yellow
- InChI
- InChI=1S/C13H9ClFNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2
- InChIKey
- GTGMXPIQRQSORU-UHFFFAOYSA-N
- SMILES
- C(C1=CC(Cl)=CC=C1N)(C1=CC=CC=C1F)=O
- CAS DataBase Reference
- 784 · 784-38-3(CAS DataBase Reference)
- NIST Chemistry Reference
- Methanone, (2-amino-5-chlorophenyl)(2-fluorophenyl)-(784-38-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39-24/25-36/37
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29223990 · 29223990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 7.8% (4 of 51) of reports.
Warning
H315 (92.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 11-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/17982
Methanone, (2-amino-5-chlorophenyl)(2-fluorophenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (92.2%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29223990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-24/25-36/37
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesEmployed in the syntheses of benzotriazepines1 and diazepam-related benzodiazepines.2
UsesFlurazepam synthon
UsesA starting material for the synthesis of diazepam and other benzodiazepines
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
湖北瑞凯兴科技股份有限公司0086-13795397680
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Related reactions
14 records
Compound notes
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