CAS 15803-02-8 1H-Pyrazole, 4-bromo-1-methyl- (HCID 167433)

Names & identifiers

Preferred name: 1H-Pyrazole, 4-bromo-1-methyl-
IUPAC: 4-bromo-1-methylpyrazole
English name: 4-Bromo-1-methylpyrazole
Molecular formula: C4H5BrN2
Molecular weight: 161

Names & synonyms

4-bromo-1-methyl-1H-pyrazole15803-02-81H-Pyrazole, 4-bromo-1-methyl-DTXSID40166351RefChem:438948DTXCID4088842605-126-54-bromo-1-methylpyrazole4-bromo-1-methyl-pyrazoleMFCD021795651-Mehtyl-4-bromo-1H-pyrazoleSCHEMBL671347

Show more names

4-Bromo-1-Methyl-1-Pyrazol1--4- MethylbroMidepyrazolecyclopent-1-enecarbaldehyde4-Bromo-1-methylpyrazole >1- Methyl-4- broMinepyrazole1-Methyl-4-bromo-1H-pyrazole4-broMo-1-Methyl-1H-pyraz...

SCHEMBL885506pyrazole, 4-bromo-1-methyl-SCHEMBL1948248SCHEMBL6021167ALBB-004428SBB019150STK503166AKOS000320620

Database identifiers

CAS: 15803-02-8
PubChem CID: 167433
DTXSID: DTXSID40166351
EC Number: 605-126-5
Nikkaji: J1.658.515G

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 66.7

Physicochemical properties

Boiling point: 185 · 185-188°C
Density: 1.558 · 1.558
refractive index: 20 · n20/D 1.531
Flash point: 93 °C · 93°C
storage temp.: Sealed in dry,Room Temperature
form: Liquid
pka: 0.21 · 0.21±0.10(Predicted)
color: Colorless to pale yellow
InChI: InChI=1S/C4H5BrN2/c1-7-3-4(5)2-6-7/h2-3H,1H3
InChIKey: IXJSDKIJPVSPKF-UHFFFAOYSA-N
SMILES: N1(C)C=C(Br)C=N1
CAS DataBase Reference: 15803 · 15803-02-8(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H318-H335
Precautionary statements: 280 · P280-P302+P352-P305+P351+P338+P310
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 37 · 37/38-41
Safety Statements: 26 · 26-39
RIDADR: 1760 · UN1760
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29331990 · 29331990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Danger

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN1760
hs_code: 29331990
risk_code: 37/38-41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
safety_code: 26-39
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H318-H335
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P280-P302+P352-P305+P351+P338+P310

Chemistry & industry

Applications · 1 item

Uses4-Bromo-1-methylpyrazole is a colourless or light yellow liquid at room temperature and pressure. It can be used as an intermediate in organic synthesis. It has good solubility in common organic solvents such as ethyl acetate, dichloromethane, dimethyl sulfoxide, and N, N-dimethylformamide but poor solubility in water.