Basic information
- CAS
77102-94-4- Standard SMILES
COc1c(O)ccc(Cl)c1Cl- InChIKey
YQDGZRGOCDIQJQ-UHFFFAOYSA-N- Molecular formula
- C7H6Cl2O2
- Average molar mass
- 193.02 g/mol
- Monoisotopic mass
- 191.9744848
Names & identifiers
- Preferred name
- Phenol, 3,4-dichloro-2-methoxy-
- IUPAC
- 3,4-dichloro-2-methoxyphenol
- English name
- 3,4-Dichloro-2-methoxyphenol
- Molecular formula
- C7H6Cl2O2
- Molecular weight
- 193.03
Names & synonyms
3,4-DICHLORO-2-METHOXYPHENOL77102-94-4Phenol, 3,4-dichloro-2-methoxy-DTXSID80227894RefChem:860879DTXCID30150385975-007-33,4-Dichloroguaiacol3,4-Dichloro-guaiacolMFCD24713701SCHEMBL5992537SCHEMBL10925713
Show more names
3,4-Dichloroguaiacol in methanol
3,4-Dichloro-2-methoxyphenol #YQDGZRGOCDIQJQ-UHFFFAOYSA-NE92902
Database identifiers
- CAS
77102-94-4- PubChem CID
- 53582
- DTXSID
DTXSID80227894- EC Number
- 975-007-3
- Nikkaji
- J696.339K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 274.9 · 274.9±35.0 °C(Predicted)
- Density
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 8.58 · 8.58±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Chemistry & industry
Suppliers3 total
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
天津瑾昇生物医药科技有限责任公司13820634634 18622687818 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…