Basic information
- CAS
22424-58-4- Standard SMILES
Cc1cc([N+](=O)[O-])ccc1OCc1ccccc1- InChIKey
ZPCZNIYGVQMCOV-UHFFFAOYSA-N- Molecular formula
- C14H13NO3
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.08954328
Names & identifiers
- Preferred name
- 5-(Benzyloxy)-2-nitrotoluene
- IUPAC
- 2-methyl-4-nitro-1-phenylmethoxybenzene
- English name
- 5-Benzyloxy-2-nitrotoluene
- Molecular formula
- C14H13NO3
- Molecular weight
- 243.26
Names & synonyms
EINECS 244-988-35-(Benzyloxy)-2-nitrotolueneNSC 86149RefChem:300231244-988-322424-58-41-(benzyloxy)-2-methyl-4-nitrobenzene179246-25-42-methyl-4-nitro-1-phenylmethoxybenzeneSCHEMBL8808139SCHEMBL30354856MFCD29043648
Show more names
5-BENZOXY-2-NITROTOLUENE5-Benzyloxy-2-nitrotoluene2-BENZYLOXY-2-NITROTOLUENEBenzyl 4-Nitro-m-tolyl ether4-BENZYLOXY-2-METHYL-1-NITRO-BENZENE(3-Methyl-4-nitrophenyl)benzyl ether2-Methyl-1-nitro-4-(phenylmethoxy)benzene1-((3-Methyl-4-nitrophenoxy)methyl)benzeneBenzene, 2-methyl-1-nitro-4-(phenylmethoxy)-
1-benzyloxy-2-methyl-4-nitro-benzeneBS-31317Benzene, 2-methyl-4-nitro-1-(phenylmethoxy)-
Database identifiers
- CAS
22424-58-4- PubChem CID
- 89707
- EC Number
- 244-988-3
- Nikkaji
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 69 · 69-70°C
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- Light yellow to yellow Solid
- BRN
- 1978227 · 1978227
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Safety Statements
- 22 · 22-24/25
- HS Code
- 29049090 · 29049090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29049090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers52 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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