Basic information
- CAS
13287-76-8- Standard SMILES
O=[N+]([O-])c1ccc(SCCO)cc1- InChIKey
RVYZERYSWJUUJY-UHFFFAOYSA-N- Molecular formula
- C8H9NO3S
- Average molar mass
- 199.23 g/mol
- Monoisotopic mass
- 199.03031432
Names & identifiers
- Preferred name
- Ethanol, 2-[(4-nitrophenyl)thio]-
- IUPAC
- 2-(4-nitrophenyl)sulfanylethanol
- English name
- 2-HYDROXYETHYL 4-NITROPHENYL SULFIDE
- Molecular formula
- C8H9NO3S
- Molecular weight
- 199.23
Names & synonyms
13287-76-82-((4-Nitrophenyl)thio)ethanolEthanol, 2-[(4-nitrophenyl)thio]-Ethanol, 2-((4-nitrophenyl)thio)-DTXSID10653982-[(4-Nitrophenyl)thio]ethanolRefChem:592267DTXCID8034118603-683-92-Hydroxyethyl 4-nitrophenyl sulfide2-(4-nitrophenyl)sulfanylethanol2-[(4-nitrophenyl)sulfanyl]ethan-1-ol
Show more names
2-[(4-Nitrophenyl)sulfanyl]ethanolMFCD000605482-(p-Nitrophenylthio)ethanol2-(4-Nitrophenylthio)ethanolCHEMBL127940SCHEMBL5657641SCHEMBL7297643SCHEMBL10706021
Database identifiers
- CAS
13287-76-8- PubChem CID
- 83307
- DTXSID
DTXSID1065398- ChEMBL
CHEMBL127940- EC Number
- 603-683-9
- Nikkaji
- J31.149I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 60 °C · 60 °C
- Boiling point
- 370.2 · 370.2±27.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.25 · 14.25±0.10(Predicted)
- CAS DataBase Reference
- 13287 · 13287-76-8(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Ethanol, 2-[(4-nitrophenyl)thio]- (13287-76-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- TSCA
- TSCA listed
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT, IRRITANT-HARMFUL, STENCH
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2-[(4-nitrophenyl)thio]-: INACTIVE
Suppliers25 total
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]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海湄水化工科技有限公司
Related reactions
2 records
Compound notes
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