Basic information
- CAS
574-97-0- Standard SMILES
O=C(O)c1ccc2ccccc2c1F- InChIKey
XKFQSLSAPMCGQS-UHFFFAOYSA-N- Molecular formula
- C11H7FO2
- Average molar mass
- 190.17 g/mol
- Monoisotopic mass
- 190.04300768
Names & identifiers
- Preferred name
- 1-Fluoro-2-naphthalenecarboxylic acid
- IUPAC
- 1-fluoronaphthalene-2-carboxylic acid
- English name
- 1-Fluoronaphthalene-2-Carboxylic Acid(WXC03645)
- Molecular formula
- C11H7FO2
- Molecular weight
- 190.17
Names & synonyms
1-fluoronaphthalene-2-carboxylic acid574-97-0DTXSID0012882211-Fluoro-2-naphthalenecarboxylic acidRefChem:432779DTXCID401718864829-995-71-Fluoro-2-naphthoic acidMFCD16990867fluoro-2-naphthoic acid1-Fluoro-2-naphthoicacidSCHEMBL14150439
Show more names
1-Fluoronaphthalene-2-Carboxylic Acid(WXC03645)
SCHEMBL31556375XKFQSLSAPMCGQS-UHFFFAOYSA-NAAA57497AKOS0231257742-Naphthalenecarboxylic acid, 1-fluoro-AS-55019SY241697CS-0453855
Database identifiers
- CAS
574-97-0- PubChem CID
- 83409602
- DTXSID
DTXSID001288221- EC Number
- 829-995-7
- Nikkaji
- J1.831.289A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 193 · 193-194 °C
- Boiling point
- 328.4 · 328.4±17.0 °C(Predicted)
- Density
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- form
- crystalline powder
- pka
- 3.27 · 3.27±0.30(Predicted)
- color
- off white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338-P362+P364
- HS Code
- 2916399090 · 2916399090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P302+P352-P305+P351+P338-P362+P364
Chemistry & industry
Suppliers10 total
安徽合诺生物科技有限公司0555-2761852
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海奥晨生物医药科技有限公司13917627064 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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