2-Methyl-5-nitrobenzoxazole

HCID 737587
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Basic information

CAS
32046-51-8
Standard SMILES
Cc1nc2cc([N+](=O)[O-])ccc2o1
InChIKey
UCZSXRHVXKAGFU-UHFFFAOYSA-N
Molecular formula
C8H6N2O3
Average molar mass
178.14 g/mol
Monoisotopic mass
178.03784205

Names & identifiers

Preferred name
2-Methyl-5-nitrobenzoxazole
IUPAC
2-methyl-5-nitro-1,3-benzoxazole
English name
2-Methyl-5-nitro-1,3-benzoxazole
Molecular formula
C8H6N2O3
Molecular weight
178.14

Names & synonyms

32046-51-82-Methyl-5-nitrobenzoxazoleEINECS 250-904-6DTXSID60185862RefChem:88181DTXCID00108353250-904-62-methyl-5-nitro-1,3-benzoxazole2-Methyl-5-nitrobenzo[d]oxazoleMFCD004667485-nitro-2-methylbenzoxazoleOprea1_110342
Show more names
CBI-BB ZERO/0049442-Methyl-5-nitrobenzoxazol2-Methyl-5-nitro-benzooxazoleBenzoxazole, 2-methyl-5-nitro-
SCHEMBL2060733HBA04651AC5888SBB013095STK785963AKOS001083795DA-17647SY018755

Database identifiers

CAS
32046-51-8
PubChem CID
737587
DTXSID
DTXSID60185862
EC Number
250-904-6
Nikkaji
J24.447C

Properties

Computed structural properties

XLogP
2
Topological polar surface area
71.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
13

Physicochemical properties

Melting point
156 · 156-158°C
Boiling point
303.1 · 303.1±15.0 °C(Predicted)
Density
1.395 · 1.395±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
-5.28 · -5.28±0.10(Predicted)
Appearance
Light brown to brown Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
2934999090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H317-H319
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers40 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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