Basic information
- CAS
95611-88-4- Standard SMILES
O=C(O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1- InChIKey
CLKWMKZOQGSSJH-UHFFFAOYSA-N- Molecular formula
- C11H6ClNO5
- Average molar mass
- 267.62 g/mol
- Monoisotopic mass
- 266.99345
Names & identifiers
- Preferred name
- 5-(4-Chloro-2-nitrophenyl)-2-furoic acid
- IUPAC
- 5-(4-chloro-2-nitrophenyl)furan-2-carboxylic acid
- English name
- 5-(4-CHLORO-2-NITRO-PHENYL)-FURAN-2-CARBOXYLIC ACID
- Molecular formula
- C11H6ClNO5
- Molecular weight
- 267.62
Names & synonyms
5-(4-Chloro-2-nitrophenyl)-2-furoic acidRefChem:530242620-931-195611-88-45-(4-chloro-2-nitrophenyl)furan-2-carboxylic acid5-(4-chloro-2-nitro-phenyl)furan-2-carboxylic AcidMFCD002742455-(4-Chloro-2-nitrophenyl)-2-furancarboxylic acid5-(4-CHLORO-2-NITRO-PHENYL)-FURAN-2-CARBOXYLIC ACIDSCHEMBL2636854DTXSID20350857STR05382
Show more names
RARECHEM AL BE 0906TIMTEC-BB SBB0030535-(4-Chloro-2-nitro-phenyl)-furan-2-carboxylic2-Furancarboxylic acid, 5-(4-chloro-2-nitrophenyl)-
BBL034255STL417238AKOS000299717AKOS015894352SB61192DB-057596CS-0315351ST50319528
Database identifiers
- CAS
95611-88-4- PubChem CID
- 688282
- DTXSID
DTXSID20350857- EC Number
- 620-931-1
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Melting point
- 213 · 213-217 °C(lit.)
- Boiling point
- 443.9 · 443.9±45.0 °C(Predicted)
- Density
- 1.539 · 1.539±0.06 g/cm3(Predicted)
- pka
- 2.71 · 2.71±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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
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 39 reports by companies from 2 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
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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