Basic information
- CAS
611-23-4- Standard SMILES
Cc1ccccc1N=O- InChIKey
TWLBRQVYXPMCFK-UHFFFAOYSA-N- Molecular formula
- C7H7NO
- Average molar mass
- 121.14 g/mol
- Monoisotopic mass
- 121.05276384
Names & identifiers
- Preferred name
- 2-Nitrosotoluene
- IUPAC
- 1-methyl-2-nitrosobenzene
- English name
- 2-Nitrosotoluene
- Molecular formula
- C7H7NO
- Molecular weight
- 121.14
Names & synonyms
2-Nitrosotoluene611-23-4o-NitrosotolueneDTXSID3021065H2P2O30ZSSortho-nitrosotolueneNSC-66507DTXCID901065RefChem:88759210-261-41-Methyl-2-nitrosobenzeneo-Methylnitrosobenzene
Show more names
Nitrosotolueneo-nitroso-toluentoluene,2-nitroso-Nitrosotoluene, p-2-Nitrosotoluene,97%2-Nitrosotoluene 97%
2-Methyl-1-nitrosobenzeneBenzene, 1-methyl-2-nitroso-TOLUENE, o-NITROSO-1-methyl-2-nitroso-benzeneNSC6775122-MethylnitrosobenzeneCCRIS 480EINECS 210-261-4
Database identifiers
- CAS
611-23-4- PubChem CID
- 11909
- DTXSID
DTXSID3021065- ChEMBL
CHEMBL3184586- UNII
- H2P2O30ZSS
- EC Number
- 210-261-4
- Nikkaji
- J54.421C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Melting Point72.5 °C
Physicochemical properties
- Melting point
- 72 · 72-75 °C (lit.)
- Boiling point
- 225.84 °C · 225.84°C (rough estimate)
- Density
- 1.1344 · 1.1344 (rough estimate)
- refractive index
- 1.5323 · 1.5323 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- solid
- Stability
- Stable. Incompatible with oxidizing agents.
- InChI
- 1S/C7H7NO/c1-6-4-2-3-5-7(6)8-9/h2-5H,1H3
- InChIKey
- TWLBRQVYXPMCFK-UHFFFAOYSA-N
- SMILES
- Cc1ccccc1N=O
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 P2O30ZSS · H2P2O30ZSS
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 & protection
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- XT3400000
- Toxicity
- mmo-sat 1 mmol/plate IJEBA6 25,618,87
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Suppliers28 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
安徽科迪达化工有限公司0554-2106669 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
4 records
Compound notes
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