Basic information
- CAS
39565-00-9- Standard SMILES
CC(=O)c1ccc([N+](=O)[O-])s1- InChIKey
CMXUIQITENCDHH-UHFFFAOYSA-N- Molecular formula
- C6H5NO3S
- Average molar mass
- 171.18 g/mol
- Monoisotopic mass
- 170.9990142
Names & identifiers
- Preferred name
- 2-Acetyl-5-nitrothiophene
- IUPAC
- 1-(5-nitrothiophen-2-yl)ethanone
- English name
- 2-Acetyl-5-nitrothiophene
- Molecular formula
- C6H5NO3S
- Molecular weight
- 171.17
Names & synonyms
2-Acetyl-5-nitrothiophene1-(5-nitrothiophen-2-yl)ethanone39565-00-91-(5-Nitro-2-thienyl)ethanoneEthanone, 1-(5-nitro-2-thienyl)-Thiophene, 2-acetyl-5-nitro-MFCD000412115-nitro-2-acetylthiophene1-(5-nitrothiophen-2-yl)ethan-1-oneCyto7H10Ethanone, 1-(5-nitro-2-thienyl)- (9CI)KETONE, METHYL (5-NITRO-2-THIENYL)
Show more names
BUTTPARK 121\08-112-acetyl-5-nitro-thiophen1-(5-nitro-2-thienyl)-ethanonmethyl 5-nitro-2-thienyl ketone5-NITRO-2-THIENYL METHYL KETONEketone,methyl(5-nitro-2-thienyl)
SCHEMBL1937600DTXSID201926781-(5-Nitro-2-thienyl)ethanone #SBB088498STK2796821-(5-Nitro-thiophen-2-yl)-ethanoneAKOS000531253DS-11633
Database identifiers
- CAS
39565-00-9- PubChem CID
- 38293
- DTXSID
DTXSID20192678- EC Number
- 680-449-2
- Nikkaji
- J71.238H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 189
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 107 · 107-108°C
- storage temp.
- 2 · 2-8°C(protect from light)
- BRN
- 131129 · 131129
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H331-H341
- Precautionary statements
- 201 · P201-P261-P280-P304+P340-P405-P501a
- Risk Statements
- 20 · 20/21/22-40
- Safety Statements
- 22 · 22-36/37/39
- RIDADR
- 2811 · UN2811
- RTECS
- 5040000 · OB5040000
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
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]
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- rtecs
- OB5040000
- ridadr
- UN2811
- Toxicity
- mmo-sat 2500 ng/plate CNREA8 35,3611,75
- risk_code
- 20/21/22-40
- Signal word
- Warning
- Symbol(GHS)
- GHS06,GHS08
- safety_code
- 22-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H331-H341
- Precautionary statements
- P201-P261-P280-P304+P340-P405-P501a
Chemistry & industry
Suppliers17 total
杭州品高化工有限公司0571-87658025 · [email protected]
上海科斯克尔医药科技有限公司00000000 15021108835 · [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]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
Shanxi Xuanran Import and Export Trade Co., Ltd.+8617735180244 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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