Basic information
- CAS
120-48-9- Standard SMILES
CCCCOC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
DVTGVOHTTDVRJF-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Names & identifiers
- Preferred name
- Butyl 4-nitrobenzoate
- IUPAC
- butyl 4-nitrobenzoate
- English name
- N-BUTYL 4-NITROBENZOATE
- Molecular formula
- C11H13NO4
- Molecular weight
- 223.23
Names & synonyms
Butyl 4-nitrobenzoaten-Butyl 4-nitrobenzoateBenzoic acid, 4-nitro-, butyl ester4-Nitrobenzoic acid, butyl esterEINECS 204-400-8AI3-19144DTXSID90152643RefChem:122216DTXCID2075134204-400-8DVTGVOHTTDVRJF-UHFFFAOYSA-N120-48-9
Show more names
MFCD000123624-Nitrobenzoic acid butylp-Nitrobenzoic acid butyl ester4-nitrobenzoic acid n-butyl esterButyl p-nitrobenzoateSCHEMBL3391559AKOS017282966AS-91723
Database identifiers
- CAS
120-48-9- PubChem CID
- 67121
- DTXSID
DTXSID90152643- UNII
- 363M63697T
- EC Number
- 204-400-8
- Nikkaji
- J46.699I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 35 · 35-39 °C(lit.)
- Boiling point
- 160 °C/8 · 160 °C/8 mmHg(lit.)
- Density
- 1.2446 · 1.2446 (rough estimate)
- refractive index
- 1.496 · 1.4960 (estimate)
- Flash point
- 113 °C · 113 °C
- storage temp.
- Store at room temperature
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
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
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)
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 CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers16 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Jinan Liheng Biotechnology Co., Ltd.15865262812 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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