Basic information
- CAS
58656-99-8- Standard SMILES
CC(C)(C)OC(=O)c1cccc([N+](=O)[O-])c1- InChIKey
SFFFYEGVQDWTNQ-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Names & identifiers
- Preferred name
- Tert-butyl 3-nitrobenzoate
- IUPAC
- tert-butyl 3-nitrobenzoate
- English name
- TERT-BUTYL 3-NITROBENZOATE
- Molecular formula
- C11H13NO4
- Molecular weight
- 223.23
Names & synonyms
Tert-butyl 3-nitrobenzoate58656-99-8DTXSID10474798RefChem:383424DTXCID404256123-nitro-benzoic acid tert-butyl estertert-Butyl3-nitrobenzoateMFCD02091504t-butyl 3-nitrobenzoateSCHEMBL4746148SCHEMBL30822838SFFFYEGVQDWTNQ-UHFFFAOYSA-N
Show more names
BUTTPARK 29\02-60Benzoic acid, 3-nitro-, 1,1-diMethylethyl ester
3-Nitrobenzoic acid t-butyl ester3-Nitro-benzoic acid t-butyl esterAB1298SBB053781AKOS013210625SB37803BS-28928DB-372063
Database identifiers
- CAS
58656-99-8- PubChem CID
- 11961369
- DTXSID
DTXSID10474798
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers34 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
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赛纳斯特化学（欢迎点击联系）021-60343070
上海睿升化工科技有限公司+86-021-50935922
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
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北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
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河北朵放科技有限公司13127301785 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
上海智乾生物科技有限公司[email protected]
南京利孚达医药科技有限公司18951933883 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
榆林润天畅化工有限责任公司15890142075 15890142075 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Related reactions
11 records
Compound notes
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