CAS 105675-85-2 4-Bromo-1-methyl-1H-pyrazol-5-amine (HCID 600351)

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Basic information

CAS: 105675-85-2
Standard SMILES: Cn1ncc(Br)c1N
InChIKey: ODFDZOQJRPDQDF-UHFFFAOYSA-N
Molecular formula: C4H6BrN3
Average molar mass: 176.01 g/mol
Monoisotopic mass: 174.97451

Names & identifiers

Preferred name: 4-Bromo-1-methyl-1H-pyrazol-5-amine
IUPAC: 4-bromo-1-methylpyrazol-5-amine
English name: 3-AMINO-4-BROMO-2-METHYLPYRAZOLE
Molecular formula: C4H6BrN3
Molecular weight: 176.01

Names & synonyms

4-Bromo-1-methyl-1H-pyrazol-5-amine105675-85-25-Amino-4-bromo-1-methyl-1H-pyrazoleDTXSID00344911RefChem:519000DTXCID70295986639-398-13-Amino-4-bromo-2-methylpyrazole4-bromo-2-methylpyrazol-3-amineMFCD000681571H-Pyrazol-5-amine, 4-bromo-1-methyl-5-amino-4-bromo-1-methylpyrazole

Show more names

BUTTPARK 24\09-524-bromo-2-methyl-3-pyrazolamine1H-Pyrazol-5-amine,4-bromo-1-methyl-4-Bromo-1-methyl-1H-pyrrazole-5-amine

4-bromo-2-methyl-2,3-dihydro-1H-pyrazol-3-imineA1IHU1955553-75-94-bromo-1-methylpyrazole-5-ylamine4-Bromo-2-methyl-2H-pyrazol-3-ylamine1H-Pyrazol-5-amine,4-SCHEMBL13584073-amino-4-bromo-2-methylpyrazol

Database identifiers

CAS: 105675-85-2
PubChem CID: 600351
DTXSID: DTXSID00344911
EC Number: 639-398-1

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 87

Physicochemical properties

Melting point: 104 °C · 104 °C
Boiling point: 275 ℃ · 275℃
Density: 1.91 · 1.91
Flash point: 120 ℃ · 120℃
storage temp.: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
solubility: Acetonitrile (Slightly), DMSO (Slightly)
form: Solid
pka: 2.12 · 2.12±0.10(Predicted)
color: Brown
BRN: 7579192 · 7579192
InChI: InChI=1S/C4H6BrN3/c1-8-4(6)3(5)2-7-8/h2H,6H2,1H3
InChIKey: ODFDZOQJRPDQDF-UHFFFAOYSA-N
SMILES: N1(C)C(N)=C(Br)C=N1
CAS DataBase Reference: 105675 · 105675-85-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning

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 (100%): 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 6 reports by companies from 3 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.