Basic information
- CAS
3463-35-2- Standard SMILES
CC(C)(C)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1- InChIKey
LXBUSXRSPLOXCP-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- 2,5-Di-t-butylnitrobenzene
- IUPAC
- 1,4-ditert-butyl-2-nitrobenzene
- English name
- 2,5-Di-tert-butylnitrobenzene
- Molecular formula
- C14H21NO2
- Molecular weight
- 235.32
Names & synonyms
2,5-di-tert-Butylnitrobenzene3463-35-22,5-Di-t-butylnitrobenzeneDTXSID10188202RefChem:444196DTXCID00110693624-358-81,4-di-tert-butyl-2-nitrobenzene1,4-Ditert-butyl-2-nitrobenzeneMFCD000103371,4-bis(tert-butyl)-2-nitrobenzene2,5-Di-tert-buty-2-nitro-benzene
Show more names
TIMTEC-BB SBB0084361,4-DI-TERT-BUTYL-2-NITRO-BENZENEBenzene,1,4-bis(1,1-dimethylethyl)-2-nitro-2,5-DI-TERT-BUTYLNITROBENZENE ---WHITE CRYSTALLINE---
SCHEMBL7830404SCHEMBL13945797LXBUSXRSPLOXCP-UHFFFAOYSA-N1,4-ditert-butyl-2-nitro-benzene1,4-Ditert-butyl-2-nitrobenzene #SBB0084362,5-Di-tert-butylnitrobenzene, 98%AKOS015837942
Database identifiers
- CAS
3463-35-2- PubChem CID
- 137948
- DTXSID
DTXSID10188202- EC Number
- 624-358-8
- Nikkaji
- J559.116C
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 88 · 88-90 °C(lit.)
- Boiling point
- 303 · 303.0±21.0 °C(Predicted)
- Density
- 1.002 · 1.002±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers14 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Aladdin Scientific[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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海鹤成医药科技有限公司13564747822 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
卓萃新材料科技（上海）有限公司021-52836897 13917661608 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…