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Basic information
- CAS
2524-76-7- Standard SMILES
CSc1cccc([N+](=O)[O-])c1- InChIKey
GBGVXOUUXAIELM-UHFFFAOYSA-N- Molecular formula
- C7H7NO2S
- Average molar mass
- 169.2 g/mol
- Monoisotopic mass
- 169.01974964
Names & identifiers
- Preferred name
- 1-(Methylthio)-3-nitrobenzene
- IUPAC
- 1-methylsulfanyl-3-nitrobenzene
- English name
- 3-Nitro thioanisole
- Molecular formula
- C7H7NO2S
- Molecular weight
- 169.2
Names & synonyms
2524-76-71-(Methylthio)-3-nitrobenzeneEINECS 219-761-7NSC 53644DTXSID30179899RefChem:74724DTXCID40102390219-761-73-Nitrothioanisole1-(methylsulfanyl)-3-nitrobenzene3-NITRO THIOANISOLEMethyl(3-nitrophenyl)sulfane
Show more names
3-Nitrothioanosole3-NITRO THIOANSOLEMethyl(3-nitrophenyl)3-Nitrothioanisole>3-NITRO THIOANISOLE 98%MINMETHYL 3-NITROPHENYL SULFIDE1-Nitro-3-(methylthio)benzene
1-methylsulfanyl-3-nitrobenzeneMFCD00024501SCHEMBL1145909A817740AC-164403-nitro thioanisolNSC536441-(Methylthio)-3-n
Database identifiers
- CAS
2524-76-7- PubChem CID
- 75656
- DTXSID
DTXSID30179899- EC Number
- 219-761-7
- Nikkaji
- J192.010C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Melting point
- 14 °C · 14 °C
- Boiling point
- 92 °C · 92 °C / 1mmHg
- Density
- 1.29 · 1.29
- refractive index
- 1.616 to · 1.6160 to 1.6200
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- clear liquid
- color
- Light yellow to Yellow to Orange
- CAS DataBase Reference
- 2524 · 2524-76-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT, STENCH
- HS Code
- 2930909899 · 2930909899
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]；H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Sens. 1 (97.5%)
Safety data
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT, STENCH
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
Chemistry & industry
Suppliers52 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
TCI AMERICA800-4238616 · [email protected]
Related reactions
3 records
Compound notes
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