Basic information
- CAS
41252-98-6- Standard SMILES
Cc1c(I)cccc1[N+](=O)[O-]- InChIKey
ZVAKFJFOGUFJON-UHFFFAOYSA-N- Molecular formula
- C7H6INO2
- Average molar mass
- 263.03 g/mol
- Monoisotopic mass
- 262.94433
Names & identifiers
- Preferred name
- 1-Iodo-2-methyl-3-nitrobenzene
- IUPAC
- 1-iodo-2-methyl-3-nitrobenzene
- English name
- 2-Iodo-6-nitrotoluene
- Molecular formula
- C7H6INO2
- Molecular weight
- 263.03
Names & synonyms
1-iodo-2-methyl-3-nitrobenzene41252-98-6DTXSID70468219RefChem:1055642DTXCID604190382-Iodo-6-nitrotolueneMFCD082722021-iodo-2-methyl-3-nitro-benzeneBenzene, 1-iodo-2-methyl-3-nitro-6-iodo-2-nitrotolueneToluene, 2-iodo-6-nitroSCHEMBL3140273
Show more names
2-Iodo-6-nitrotoluene, 95%3-Iodo-2-methyl nitro benzene
SCHEMBL13835945RBA25298AKOS0093755935-IODO-6-METHYL-1-NITROBENZENEDS-11086SY174003DB-070162CS-0041327
Database identifiers
- CAS
41252-98-6- PubChem CID
- 11536258
- DTXSID
DTXSID70468219- EC Number
- 160-249-7
- Nikkaji
- J2.234.542G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
Kovats Retention Index1503.5
Physicochemical properties
- Melting point
- 35 · 35-37 °C
- Boiling point
- 288.9 · 288.9±20.0 °C(Predicted)
- Density
- 1.883 · 1.883±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H227
- Precautionary statements
- 501 · P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H227
- Precautionary statements
- P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers30 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安徽合诺生物科技有限公司18455579438
南京代盟化工有限公司02566880956 · [email protected]
山东宜仁药业有限公司531-87922518 15628888630 · [email protected]
Related reactions
3 records
Compound notes
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