CAS 327-95-7 4-Fluorobenzene-1,3-dicarboxylic acid (HCID 242256)

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Basic information

CAS: 327-95-7
Standard SMILES: O=C(O)c1ccc(F)c(C(=O)O)c1
InChIKey: OPWLKVOLSUNGEI-UHFFFAOYSA-N
Molecular formula: C8H5FO4
Average molar mass: 184.12 g/mol
Monoisotopic mass: 184.01718686

Names & identifiers

Preferred name: 4-Fluorobenzene-1,3-dicarboxylic acid
IUPAC: 4-fluorobenzene-1,3-dicarboxylic acid
English name: 4-Fluoroisophthalic acid
Molecular formula: C8H5FO4
Molecular weight: 184.12

Names & synonyms

4-fluorobenzene-1,3-dicarboxylic acidDTXSID90287368RefChem:523379DTXCID30238516895-597-5327-95-74-Fluoroisophthalic acidMFCD06208805Isophthalic acid, 4-fluoro-1,3-Benzenedicarboxylic acid, 4-fluoro-4-Fluoro-1,3-benzenedicarboxylic acid; 4-Fluoroisophthalic acid; NSC 50699NSC50699

Show more names

4-Fluoroisophthalicacid4-fluoro-isophthalic acidSCHEMBL336060orb3144164OPWLKVOLSUNGEI-UHFFFAOYSA-NCS-M34874-fluorobenzene-1,3-dicarboxylicaciNSC-50699

Database identifiers

CAS: 327-95-7
PubChem CID: 242256
DTXSID: DTXSID90287368
EC Number: 895-597-5

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 228

Physicochemical properties

Melting point: 300 · 300-301 °C
Boiling point: 403.4 · 403.4±30.0 °C(Predicted)
Density: 1.551 · 1.551±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 2.9 · 2.90±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 · P280-P271
HS Code: 2917399590 · 2917399590

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2917399590
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P280-P271

Chemistry & industry

Suppliers41 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]

安徽合诺生物科技有限公司0555-2761852

Related reactions

2 records

New reaction record

HRID 1784925As productuspto-grants-2009_03

HRID 2071121As productuspto-grants-2012_10

Compound notes

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