Basic information
- CAS
114776-15-7- Standard SMILES
O=C(O)c1cc([N+](=O)[O-])c(F)cc1Cl- InChIKey
SYZKAFCPWNFONG-UHFFFAOYSA-N- Molecular formula
- C7H3ClFNO4
- Average molar mass
- 219.55 g/mol
- Monoisotopic mass
- 218.97346348
Names & identifiers
- Preferred name
- 2-Chloro-4-fluoro-5-nitrobenzoic Acid
- IUPAC
- 2-chloro-4-fluoro-5-nitrobenzoic acid
- English name
- 2-CHLORO-4-FLUORO-5-NITROBENZOIC ACID
- Molecular formula
- C7H3ClFNO4
- Molecular weight
- 219.55
Names & synonyms
2-Chloro-4-fluoro-5-nitrobenzoic acid114776-15-7DTXSID10428413RefChem:258749DTXCID40379247630-233-9Benzoic acid, 2-chloro-4-fluoro-5-nitro-MFCD041157152-chloro-4-fluoro-5-nitro-benzoic Acid2-Chloro-4-fluoro-5-nitrobenzoicacidSCHEMBL1014802AKOS009486809
Show more names
2-chloro-4-fluoro-5-nitrobenzoate2-Chloro-4-fluoro-5-nitrobenzoic ac5-Carboxy-4-chloro-2-fluoronitrobenzene2-Chloro-4-fluoro-5-nitrobenzoicacid98%2-Chloro-4-fluoro-5-nitrobenzoic acid 98%2-Chloro-4-fluoro-5-nitrobenzoic Acid >2-Chloro-4-fluoro-5-nitrobenzoic acid, 97%,
C2446EN300-84119Z42480063616,16-DIMETHYLPROSTAGLANDINE2CS-D1754SBB095828AB20456AC-24327
Database identifiers
- CAS
114776-15-7- PubChem CID
- 7210828
- DTXSID
DTXSID10428413- EC Number
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 146 · 146-150
- Boiling point
- 364.2 · 364.2±42.0 °C(Predicted)
- Density
- 1.689 · 1.689±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Soluble in methanol.
- pka
- 2.32 · 2.32±0.12(Predicted)
- form
- Powder
- color
- White
- InChI
- InChI=1S/C7H3ClFNO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2H,(H,11,12)
- InChIKey
- SYZKAFCPWNFONG-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC([N+]([O-])=O)=C(F)C=C1Cl
- CAS DataBase Reference
- 114776 · 114776-15-7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2-Chloro-4-fluoro-5-nitrobenzoic acid is used as pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司
Related reactions
44 records
Compound notes
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