5-Bromo-2-nitrobenzonitrile

HCID 319489
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Basic information

CAS
89642-50-2
Standard SMILES
N#Cc1cc(Br)ccc1[N+](=O)[O-]
InChIKey
LCNNOEPOXHHUQG-UHFFFAOYSA-N
Molecular formula
C7H3BrN2O2
Average molar mass
227.01 g/mol
Monoisotopic mass
225.93778944

Names & identifiers

Preferred name
5-Bromo-2-nitrobenzonitrile
IUPAC
5-bromo-2-nitrobenzonitrile
English name
5-BROMO-2-NITROBENZONITRILE
Molecular formula
C7H3BrN2O2
Molecular weight
227.01

Names & synonyms

5-bromo-2-nitrobenzonitrile89642-50-2DTXSID40312876RefChem:102148DTXCID60264000640-159-95-Bromo-2-nitro-benzonitrile2-nitro-5-bromobenzonitrileMFCD10699674NSC263787NSC 263787SCHEMBL1119385
Show more names
4-Bromo-2-cyanonitrobenzeneBenzonitrile, 5-bromo-2-nitro-5-BROMO-2-NITROBENZONITRILE ISO 9001：2015 REACH
CS-W005536NSC-263787PS-4812SY104547FT-0688158A24152LCNNOEPOXHHUQG-UHFFFALCNNOEPOXHHUQG-UHFFFAOYSA-N

Database identifiers

CAS
89642-50-2
PubChem CID
319489
DTXSID
DTXSID40312876
EC Number
640-159-9

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
69.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Melting point
117 · 117-119℃ (ethanol )
Density
1.81 · 1.81±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.
Sealed in dry,Room Temperature
form
solid
color
lemon
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

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

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2926907090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H335
Precautionary statements
P261-P271-P280

Chemistry & industry

Suppliers49 total

苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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