5-Methyl-1-phenylpyrazole-4-carboxylic acid

HCID 145221
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Basic information

CAS
91138-00-0
Standard SMILES
Cc1c(C(=O)O)cnn1-c1ccccc1
InChIKey
USSMIQWDLWJQDQ-UHFFFAOYSA-N
Molecular formula
C11H10N2O2
Average molar mass
202.21 g/mol
Monoisotopic mass
202.07422757

Names & identifiers

Preferred name
5-Methyl-1-phenylpyrazole-4-carboxylic acid
IUPAC
5-methyl-1-phenylpyrazole-4-carboxylic acid
English name
5-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
Molecular formula
C11H10N2O2
Molecular weight
202.21

Names & synonyms

91138-00-05-Methyl-1-phenylpyrazole-4-carboxylic acidDTXSID00238422RefChem:103093DTXCID20160913USSMIQWDLWJQDQ-UHFFFAOYSA-N5-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid3-Methyl-2-phenylpyrazole-4-carboxylic acid5-Methyl-1-Phenyl-Pyrazole-4-Carboxylic AcidMFCD000678316a-9-Difluoroprednisolone-17-CarboxylateCHEMBL5081820
Show more names
AKOS PAO-0331BUTTPARK 33\08-16CBI-BB ZERO/006129RARECHEM AL BE 1317TIMTEC-BB SBB005428SALOR-INT L317624-1EAAlitretinoin Impurity 103-METHYL-2-PHENYLPYRAZOLE-4-CARBOXYLIC &
SY0500671-phenyl-5-methylpyrazole-4-carboxylic acidT73062F2135-05295-Methyl-1-phenyl-1H-pyrazole-4-carboxylic Acid;9FHAMY33192CDS1_000125

Database identifiers

CAS
91138-00-0
PubChem CID
145221
DTXSID
DTXSID00238422
ChEMBL
CHEMBL5081820
EC Number
622-026-7
Nikkaji
J2.874.476E

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
55.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

Melting point
166 · 166-170 °C(lit.)
Boiling point
382.9 · 382.9±22.0 °C(Predicted)
Density
1.24 · 1.24±0.1 g/cm3(Predicted)
storage temp.
Store at room temperature
solubility
Chloroform
form
Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (15.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (13%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (15.2%)；STOT SE 3 (13%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29331990
risk_code
38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses5-Methyl-1-phenylpyrazole-4-carboxylic Acid (cas# 91138-00-0) is a compound useful in organic synthesis.

Upstream & downstream products

Suppliers61 total

宁波振岳医药科技有限公司19817745290 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [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]
郑州汇聚化工有限公司13393710386 · [email protected]

Related reactions

10 records
New reaction record

Compound notes

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