4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid

HCID 14770682CAS 127892-62-0
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1nn(C)c(C(=O)O)c1Cl
InChIKey
NXAIFVHVBHMNJS-UHFFFAOYSA-N
Molecular formula
C7H9ClN2O2
Average molar mass
188.61 g/mol
Monoisotopic mass
188.0352552

Names & identifiers

Preferred name
4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid
IUPAC
4-chloro-3-ethyl-1-methylpyrazole-5-carboxylic acid
English name
4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid
Molecular formula
C7H9ClN2O2
Molecular weight
188.61

Names & synonyms

127892-62-04-CHLORO-3-ETHYL-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACIDDTXSID60563848RefChem:291632DTXCID70514624836-047-61H-Pyrazole-5-carboxylic acid, 4-chloro-3-ethyl-1-methyl-MFCD084590574-CHLORO-5-ETHYL-2-METHYLPYRAZOLE-3-CARBOXYLIC ACIDSCHEMBL4768937AKOS006291223DS-14982
Show more names
4-chloro-3-Ethyl-1-methyl-1H-Pyrazole-5- carboxylic4-chloro-5-ethyl-2-methyl-3-pyrazolecarboxylic acid1-Methyl-3-ethyl-4-chloro-5-pyrazole carboxylic acid4-CHLORO-3-ETHYL-1-METHYL PYRAZOLE-5-CARBOXYLIC ACID4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylicaciEthyl 4-chloro-5-ethyl-1-methyl- 1H-pyrazole-3-carboxylic acid
C3644CL 810,728CS-0094006EN300-373834F16455FT-0762630AMY224-chloro-5-ethyl-2-methyl-pyrazole-3-carboxylic acid

Database identifiers

CAS
127892-62-0
PubChem CID
14770682
DTXSID
DTXSID60563848
EC Number
836-047-6
Nikkaji
J364.778A

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
55.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Melting point
164 °C · 164 °C
Boiling point
339.5 · 339.5±42.0 °C(Predicted)
Density
1.4 · 1.40±0.1 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility
Chloroform (Slightly, Heated), Methanol (Slightly)
pka
1.9 · 1.90±0.38(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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 2 reports by companies from 2 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. 2 (100%)；STOT SE 3 (50%)

Safety data

hs_code
2933.19.9000
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Uses & manufacturing

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Applications

Uses4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-formic Acid is a useful reagent for the synthesis of anti-microbial compounds.

Suppliers50 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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