4-Benzyloxy-2-nitrotoluene

HCID 2801507CAS 24239-67-6
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(OCc2ccccc2)cc1[N+](=O)[O-]
InChIKey
DGMVXGHRFDVQHC-UHFFFAOYSA-N
Molecular formula
C14H13NO3
Average molar mass
243.26 g/mol
Monoisotopic mass
243.08954328

Names & identifiers

Preferred name
4-Benzyloxy-2-nitrotoluene
IUPAC
1-methyl-2-nitro-4-phenylmethoxybenzene
English name
4-BENZYLOXY-2-NITROTOLUENE
Molecular formula
C14H13NO3
Molecular weight
243.26

Names & synonyms

4-Benzyloxy-2-nitrotoluene24239-67-6DTXSID70384263RefChem:290345DTXCID403352874-(benzyloxy)-1-methyl-2-nitrobenzene1-methyl-2-nitro-4-phenylmethoxybenzeneMFCD001006511-Methyl-2-nitro-4-(phenylmethoxy)benzeneSCHEMBL1240906SCHEMBL29502953DGMVXGHRFDVQHC-UHFFFAOYSA-N
Show more names
benzyl 3-Nitro-p-tolyl Ether1-((4-methyl-3-nitrophenoxy)methyl)benzeneBenzene, 1-methyl-2-nitro-4-(phenylmethoxy)-4-(benzyloxy)-1-methyl-2-nitrobenzene - [AC78234]4-(Benzyloxy)-1-Methyl-2-Nitrobenzene 4Benzyloxy2nitro toluene
AKOS022179257AB03401CCG-235163AC-30543AS-58953SY025662DB-123065DB-316221

Database identifiers

CAS
24239-67-6
PubChem CID
2801507
DTXSID
DTXSID70384263

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
55.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18

Physicochemical properties

Melting point
60 · 60-62°C
Boiling point
389.3 · 389.3±27.0 °C(Predicted)
Density
1.202 · 1.202±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
DMF
form
Solid

Safety & regulation

Safety data

hs_code
29049090
risk_code
20/21/22
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25-36/37
Hazard statements
H302-H315-H319-H335

Chemistry & industry

Upstream & downstream products

Suppliers45 total

上海康恩博医药科技有限公司17510465506 · [email protected]
Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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