Basic information
- CAS
34593-73-2- Standard SMILES
CC(C)(C)c1ccc(O)cc1Cl- InChIKey
XXZNDRDKECUZMB-UHFFFAOYSA-N- Molecular formula
- C10H13ClO
- Average molar mass
- 184.66 g/mol
- Monoisotopic mass
- 184.06549272
Names & identifiers
- Preferred name
- 4-tert-Butyl-3-chlorophenol
- IUPAC
- 4-tert-butyl-3-chlorophenol
- English name
- 4-tert-butyl-3-chlorophenol
- Molecular formula
- C10H13ClO
- Molecular weight
- 184.66
Names & synonyms
4-TERT-BUTYL-3-CHLOROPHENOL34593-73-2DTXSID50542309RefChem:296405DTXCID60493095855-405-24-(tert-Butyl)-3-chlorophenolPhenol, 3-chloro-4-(1,1-dimethylethyl)-MFCD169968694-tert-butyl-3-chloro-phenolSCHEMBL1982427XXZNDRDKECUZMB-UHFFFAOYSA-N
Show more names
MB218153-chloro-4-(1,1-dimethylethyl)phenolSY316125DB-090722CS-0380019E85706EN300-7832104F761924
Database identifiers
- CAS
34593-73-2- PubChem CID
- 13499472
- DTXSID
DTXSID50542309- EC Number
- 855-405-2
- Nikkaji
- J1.751.481D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Boiling point
- 272.1 · 272.1±20.0 °C(Predicted)
- Density
- 1.109 · 1.109±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 9.22 · 9.22±0.18(Predicted)
- Appearance
- Yellow to orange Solid
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 411 · H411-H335-H315-H318-H317-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P280-P305+P351+P338-P310
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P391, 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%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05,GHS09
- Hazard statements
- H411-H335-H315-H318-H317-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers7 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海祉夏化工科技有限公司15216847143 18321145570 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
湖北省善乐兴生物科技有限公司18321145570 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
10 records
Compound notes
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