2-Bromo-4-methyl-3-nitro-pyridine

HCID 19926089
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Basic information

CAS
23056-45-3
Standard SMILES
Cc1ccnc(Br)c1[N+](=O)[O-]
InChIKey
LRYKMSPHPLXBHF-UHFFFAOYSA-N
Molecular formula
C6H5BrN2O2
Average molar mass
217.02 g/mol
Monoisotopic mass
215.9534395

Names & identifiers

Preferred name
2-Bromo-4-methyl-3-nitro-pyridine
IUPAC
2-bromo-4-methyl-3-nitropyridine
English name
2-Bromo-3-nitro-4-picoline
Molecular formula
C6H5BrN2O2
Molecular weight
217.02

Names & synonyms

2-bromo-4-methyl-3-nitro-pyridineRefChem:466593873-006-12-bromo-4-methyl-3-nitropyridine23056-45-32-Bromo-3-nitro-4-picolineMFCD04112527PYRIDINE, 2-BROMO-4-METHYL-3-NITRO-2-bromo-3-nitro-4-methylpyridine2-bromo-3-nitro-4-methyl pyridineSCHEMBL2366386DTXSID80601337
Show more names
2-Bromo-4-methyl-3-nitropyridine 98%2-BROMO-3-NITRO-4-PICOLINE ISO 9001：2015 REACH2-BROMO-3-NITRO-4-PICOLINE (2-BROMO-4-METHYL-3-NITROPYRIDINE)
LRYKLRYKMSPHPLXBHF-UHFFFAOYSA-NAKOS005145579AB17591AC-6680GS-6775SY017758DB-003070

Database identifiers

CAS
23056-45-3
PubChem CID
19926089
DTXSID
DTXSID80601337
EC Number
873-006-1
Nikkaji
J3.110.793H

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
58.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Boiling point
263.3 · 263.3±35.0 °C(Predicted)
Density
1.709 · 1.709±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
-2.59 · -2.59±0.18(Predicted)
Appearance
Off-white to light yellow Solid
CAS DataBase Reference
23056 · 23056-45-3(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

hs_code
2933399990
risk_code
20/21/22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,Xn
safety_code
26-37/39

Chemistry & industry

Suppliers100 total

阜新奥瑞凯精细化工有限公司0418-5113999 18740177324 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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