Basic information
- CAS
137-19-9- Standard SMILES
Oc1cc(O)c(Cl)cc1Cl- InChIKey
GRLQBYQELUWBIO-UHFFFAOYSA-N- Molecular formula
- C6H4Cl2O2
- Average molar mass
- 179 g/mol
- Monoisotopic mass
- 177.9588348
Names & identifiers
- Preferred name
- 1,3-Benzenediol, 4,6-dichloro-
- IUPAC
- 4,6-dichlorobenzene-1,3-diol
- English name
- 4,6-Dichlororesorcinol
- Molecular formula
- C6H4Cl2O2
- Molecular weight
- 179
Names & synonyms
4,6-Dichlororesorcinol137-19-91,3-Benzenediol, 4,6-dichloro-Resorcinol, 4,6-dichloro-4,6-Dichloro-1,3-dihydroxybenzeneEINECS 205-284-1NSC 60650RefChem:413763Resorcinol, 4,6-dichloro-(8CI)205-284-1InChI=1/C6H4Cl2O2/c7-3-1-4(8)6(10)2-5(3)9/h1-2,9-104,6-dichlorobenzene-1,3-diol
Show more names
3,4-Dichlororesorcinol4,6-Dichlororesorcinol >Phloroglucinol Impurity 224,6-Dichlororesorcinol 97%4,6-dichloro-3-benzenediolPhloroglucinol EP Impurity O
4,6-Dichloro-1,3-benzenedioldichlororesorcinolMFCD00002274DTXSID8021563NSC-606501,5-Dichloro-2,4-dihydroxybenzene; 4,6-Dichloro-1,3-benzenediol; 4,6-Dichlororesorcin; 4,6-Dichlororesorcinol; NSC 60650NSC606504,3-dihydroxybenzene
Database identifiers
- CAS
137-19-9- PubChem CID
- 67299
- DTXSID
DTXSID8021563- ChEMBL
CHEMBL2332783- UNII
- AC3AZC6BG7
- EC Number
- 205-284-1
- Nikkaji
- J79.456B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Melting point
- 104 · 104-106 °C (lit.)
- Boiling point
- 254 °C · 254 °C (lit.)
- Density
- 1.4512 · 1.4512 (rough estimate)
- refractive index
- 1.4595 · 1.4595 (estimate)
- Flash point
- 253 · 253-255°C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 7.55 · 7.55±0.23(Predicted)
- color
- Pale Pink
- Water Solubility
- Soluble in water.
- InChI
- 1S/C6H4Cl2O2/c7-3-1-4(8)6(10)2-5(3)9/h1-2,9-10H
- InChIKey
- GRLQBYQELUWBIO-UHFFFAOYSA-N
- SMILES
- Oc1cc(O)c(Cl)cc1Cl
- CAS DataBase Reference
- 137 · 137-19-9(CAS DataBase Reference)
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)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 1,3-Benzenediol, 4,6-dichloro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 2908190090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- 6.1
- Storage Class
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenediol, 4,6-dichloro-: INACTIVE
Applications
Uses4,6-Dichlororesorcinol was used as an exotemplate to self-organize two aza-heterocyclic units by OHN hydrogen bonds.
Upstream & downstream products
Downstream products
Suppliers95 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Related reactions
7 records
Compound notes
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