CAS 15862-30-3 3-Bromo-5-nitropyridine (HCID 2762898)

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Basic information

CAS: 15862-30-3
Standard SMILES: O=[N+]([O-])c1cncc(Br)c1
InChIKey: WHYJVHQKKJHXTB-UHFFFAOYSA-N
Molecular formula: C5H3BrN2O2
Average molar mass: 202.99 g/mol
Monoisotopic mass: 201.93779

Names & identifiers

Preferred name: 3-Bromo-5-nitropyridine
IUPAC: 3-bromo-5-nitropyridine
English name: 3-Bromo-5-nitropyridine
Molecular formula: C5H3BrN2O2
Molecular weight: 202.99

Names & synonyms

3-Bromo-5-nitropyridine15862-30-3DTXSID80376553RefChem:93213DTXCID40327581677-831-63-bromo-5-nitro-pyridinePYRIDINE, 3-BROMO-5-NITRO-MFCD04114216SCHEMBL5297463-Bromo-5-nitropyridine, AldrichCPRCL0163

Show more names

3-nitro-5-bromopyridinePyridine,3-broMo-5-nitro-2-BROMO-5-NITROPYRIDINE ,98%3-BROMO-5-NITROPYRIDINE ISO 9001：2015 REACH

AKOS015833832CS-W003163AB17991GS-6476AC-22569SY005917AM20050843FT-0600155

Database identifiers

CAS: 15862-30-3
PubChem CID: 2762898
DTXSID: DTXSID80376553
EC Number: 677-831-6

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 58.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 111 · 111-115℃
Boiling point: 251.6 · 251.6±20.0 °C(Predicted)
Density: 1.833 · 1.833±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: -1.16 · -1.16±0.20(Predicted)
form: solid
Appearance: White to light brown Solid
InChI: 1S/C5H3BrN2O2/c6-4-1-5(8(9)10)3-7-2-4/h1-3H
InChIKey: WHYJVHQKKJHXTB-UHFFFAOYSA-N
SMILES: Brc1cncc(c1)N(=O)=O
CAS DataBase Reference: 15862 · 15862-30-3(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H311-H315-H319-H335

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (88.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (11.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (11.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (88.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (88.9%)；Acute Tox. 4 (11.1%)；Acute Tox. 4 (11.1%)；Skin Irrit. 2 (11.1%)；Eye Dam. 1 (88.9%)；Eye Irrit. 2A (11.1%)；STOT SE 3 (11.1%)