Basic information
- CAS
18354-26-2- Standard SMILES
Cc1cc(C)c(Cl)c(C(=O)O)c1C- InChIKey
UUXKFHFNMBOTDU-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
- Monoisotopic mass
- 198.0447573
Names & identifiers
- Preferred name
- Benzoic acid, 2-chloro-3,5,6-trimethyl-
- IUPAC
- 2-chloro-3,5,6-trimethylbenzoic acid
- English name
- 2-Chloro-3,5,6-trimethylbenzoic acid
- Molecular weight
- 0
Names & synonyms
2-Chloro-3,5,6-trimethylbenzoic acid18354-26-2BENZOIC ACID, 2-CHLORO-3,5,6-TRIMETHYL-NSC 96587BRN 2577649DTXSID10171432RefChem:326848DTXCID5093923U8F25XZV6LNSC-96587NSC96587UNII-U8F25XZV6L
Database identifiers
- CAS
18354-26-2- PubChem CID
- 29038
- DTXSID
DTXSID10171432- UNII
- U8F25XZV6L
- EC Number
- 110-346-5
- Nikkaji
- J73.924C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- FDA UNII
- 8 F25XZV6L · U8F25XZV6L
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%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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