3-Phenyl-1H-pyrazole-4-carbaldehyde

HCID 291816CAS 26033-20-5

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Basic information

Standard SMILES: O=Cc1cn[nH]c1-c1ccccc1
InChIKey: OCCFXKQCKSLEII-UHFFFAOYSA-N
Molecular formula: C10H8N2O
Average molar mass: 172.187 g/mol
Monoisotopic mass: 172.06366288

Names & identifiers

Preferred name: 3-Phenyl-1H-pyrazole-4-carbaldehyde
IUPAC: 5-Phenyl-1H-pyrazole-4-carbaldehyde
English name: 3-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
Molecular formula: C10H8N2O
Molecular weight: 172.18

Names & synonyms

3-PHENYL-1H-PYRAZOLE-4-CARBOXALDEHYDE34PPAKML-15AKOS B000387AKOS PAO-0289CHEMBRDG-BB 4300301SALOR-INT L119636-1EA4-Formyl-3-phenylpyrazole3-Phenylpyrazole-4-carbaldeh3-Phenylpyrazole-4-carbaldehyde

Database identifiers

CAS: 26033-20-5
PubChem CID: 291816
DTXSID: DTXSID10303211
ChEMBL: CHEMBL1874396
EC Number: 632-673-7

Properties

Physicochemical properties

Melting point: 146 · 146-148 °C
Boiling point: 302.5 °C · 302.5°C (rough estimate)
Density: 1.1841 · 1.1841 (rough estimate)
refractive index: 1.704 · 1.7040 (estimate)
storage temp.: 2 · 2-8°C
pka: 11.17 · 11.17±0.50(Predicted)
form: Powder
color: Light yellow
InChI: InChI=1S/C10H8N2O/c13-7-9-6-11-12-10(9)8-4-2-1-3-5-8/h1-7H,(H,11,12)
InChIKey: OCCFXKQCKSLEII-UHFFFAOYSA-N
SMILES: N1C=C(C=O)C(C2=CC=CC=C2)=N1
CAS DataBase Reference: 26033 · 26033-20-5(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 37 · 37/39-26
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29331990 · 29331990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral
REACH Registrations: Active

Safety & regulation

Safety data

wgk: 3
hs_code: 29331990
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 37/39-26
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H302
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Uses3-Phenyl-1H-pyrazole-4-carbaldehyde can be prepared as an corrosion inhibitor for mild steel in hydrochloric acid medium.

Upstream & downstream products

Upstream raw materials

Downstream products

3-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID

Suppliers50 total

南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

郑州汇聚化工有限公司13393710386 · [email protected]

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