6-Nitrosothymol
Basic information
- CAS
2364-54-7- Standard SMILES
Cc1cc(O)c(C(C)C)cc1N=O- InChIKey
YQVCMSSJMLGWAM-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- 6-Nitrosothymol
- IUPAC
- 5-methyl-4-nitroso-2-propan-2-ylphenol
- English name
- 6-Nitrosothymol
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
2-Isopropyl-5-methyl-4-nitrosophenol2364-54-76-NitrosothymolNitrosothymolp-NitrosothymolThymol, 6-nitroso-Phenol, 5-methyl-2-(1-methylethyl)-4-nitroso-NSC 5054NSC 32670NSC 406196AI3-02910DTXSID9062350
Show more names
PARA-NITROSOTHYMOL6-NITROSOTHYMOL 95%TIMTEC-BB SBB0082355-METHYL-4-NITROSO-2-ISOPROPYLPHENOL
RefChem:544105DTXCID6036914663-137-0Poloxime17302-61-35-methyl-4-nitroso-2-propan-2-ylphenol5-methyl-4-nitroso-2-(propan-2-yl)phenolMFCD00013894
Database identifiers
- CAS
2364-54-7- PubChem CID
- 75393
- DTXSID
DTXSID9062350- UNII
- RLW2ZRP3KC
- EC Number
- 663-137-0
- Nikkaji
- J421.610E、J96.497B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- EPA Substance Registry System
- 5 · Phenol, 5-methyl-2-(1-methylethyl)-4-nitroso- (2364-54-7)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
- HS Code
- 2929900090 · 2929900090
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2929900090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H319-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 5-methyl-2-(1-methylethyl)-4-nitroso-: INACTIVE
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Related reactions
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Compound notes
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