Basic information
- CAS
80826-86-4- Standard SMILES
Cc1cc(O)cc(C)c1I- InChIKey
RMJZLNUEDDXELD-UHFFFAOYSA-N- Molecular formula
- C8H9IO
- Average molar mass
- 248.06 g/mol
- Monoisotopic mass
- 247.96981291
Names & identifiers
- Preferred name
- 4-Iodo-3,5-dimethyl-phenol
- IUPAC
- 4-iodo-3,5-dimethylphenol
- English name
- 3,5-Dimethyl-4-iodophenol
- Molecular formula
- C8H9IO
- Molecular weight
- 248.06
Names & synonyms
4-Iodo-3,5-dimethyl-phenolRefChem:524191676-831-34-iodo-3,5-dimethylphenol80826-86-43,5-Dimethyl-4-iodophenolMFCD001742843,5-Dimethyl-4-iodophenol; 4-Iodo-3,5-dimethylphenolSCHEMBL282435DTXSID40371241RMJZLNUEDDXELD-UHFFFAOYSA-NCS-M3254
Show more names
4-IODO-3,5-XYLENOL3,5-Xylenol, 4-iodo-5-Hydroxy-2-iodo-m-xylenePhenol, 4-iodo-3,5-dimethyl-4-Iodo-3,5-dimethyl-phenol, CAS 80826-86-45-Hydroxy-2-iodo-m-xylene, 4-Iodo-3,5-xylenol
SBB058946AKOS005145861AC-6609AS-5188SY018291DB-022091ST51043283F040913
Database identifiers
- CAS
80826-86-4- PubChem CID
- 2736264
- DTXSID
DTXSID40371241- EC Number
- 676-831-3
- Nikkaji
- J1.486.183A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Melting point
- 129 °C · 129 °C
- Boiling point
- 293 · 293.0±28.0 °C(Predicted)
- Density
- 1.74 · 1.740±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- crystalline needles
- pka
- 9.59 · 9.59±0.23(Predicted)
- color
- Faint brown
- Sensitive
- Light Sensitive
- CAS DataBase Reference
- 80826 · 80826-86-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
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+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
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 5 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 (20%)
Safety data
- hs_code
- 2908190090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Light Sensitive
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers54 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
安徽合诺生物科技有限公司0555-2761852
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Aladdin Scientific[email protected]
Related reactions
5 records
Compound notes
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