CAS 850892-12-5 5-Bromo-4-methylpyridin-3-amine (HCID 7060679)

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Basic information

CAS: 850892-12-5
Standard SMILES: Cc1c(N)cncc1Br
InChIKey: VZPJBIMRSJQEMB-UHFFFAOYSA-N
Molecular formula: C6H7BrN2
Average molar mass: 187.04 g/mol
Monoisotopic mass: 185.97926

Names & identifiers

Preferred name: 5-Bromo-4-methylpyridin-3-amine
IUPAC: 5-bromo-4-methylpyridin-3-amine
English name: 3-AMino-5-broMo-4-Methylpyridine
Molecular formula: C6H7BrN2
Molecular weight: 187.04

Names & synonyms

5-bromo-4-methylpyridin-3-amine850892-12-5DTXSID10427648RefChem:301908DTXCID90378482831-772-4MFCD074399763-AMINO-5-BROMO-4-METHYLPYRIDINE3-Pyridinamine, 5-bromo-4-methyl-5-bromo-4-methyl-pyridin-3-amineF1957-0026SCHEMBL956231

Show more names

3-BroMo-4-Methyl-5-aMinopyridine5-BroMo-4-Methyl-3-aMinopyridine5-Bromo-4-methylpyridin-3-ylamine5-Bromo-4-methyl-3-aminopyridine 95+%3-AMino-5-broMo-4-Methylpyridine ISO 9001：2015 REACH

5-BROMO-4-METHYL-PYRIDIN-3-YLAMINE5-Bromo-4-methy-pyridin-3-ylamine5-bromo-4-methyl-3-pyridinamineVZPJBIMRSJQEMB-UHFFFAOYSSCHEMBL295162475-bromo-4-methyl-3-pyridylamineVZPJBIMRSJQEMB-UHFFFAOYSA-NSMSSF-0532966

Database identifiers

CAS: 850892-12-5
PubChem CID: 7060679
DTXSID: DTXSID10427648
EC Number: 831-772-4

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 97

Physicochemical properties

Boiling point: 302 · 302.0±37.0 °C(Predicted)
Density: 1.593 · 1.593±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: solid
pka: 4.46 · 4.46±0.28(Predicted)
Appearance: White to light yellow Solid
InChI: 1S/C6H7BrN2/c1-4-5(7)2-9-3-6(4)8/h2-3H,8H2,1H3
InChIKey: VZPJBIMRSJQEMB-UHFFFAOYSA-N
SMILES: CC1=C(C=NC=C1Br)N
UNSPSC Code: 12352116 · 12352116
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.