Basic information
- CAS
27164-09-6- Standard SMILES
O=Cc1c(Cl)ccc(Cl)c1O- InChIKey
JQZDVFAQNRLCDC-UHFFFAOYSA-N- Molecular formula
- C7H4Cl2O2
- Average molar mass
- 191.01 g/mol
- Monoisotopic mass
- 189.9588348
Names & identifiers
- Preferred name
- Benzaldehyde, 3,6-dichloro-2-hydroxy-
- IUPAC
- 3,6-dichloro-2-hydroxybenzaldehyde
- English name
- 3,6-Dichloro-2-hdyroxybenzaldehyde
- Molecular formula
- C7H4Cl2O2
- Molecular weight
- 191.01
Names & synonyms
3,6-Dichloro-2-hydroxybenzaldehydeBenzaldehyde, 3,6-dichloro-2-hydroxy-BRN 2442542DTXSID30181634RefChem:117108DTXCID70104125JQZDVFAQNRLCDC-UHFFFAOYSA-N27164-09-63,6-DICHLORO-2-HDYROXYBENZALDEHYDE3,6-Dichloro-2-hydroxy-benzaldehydeMFCD01666394SCHEMBL659499
Show more names
SCHEMBL30892256SCHEMBL30892258CBA16409AKOS006277909DA-24592CS-0190649E89593EN300-257092
Database identifiers
- CAS
27164-09-6- PubChem CID
- 147153
- DTXSID
DTXSID30181634- EC Number
- 117-446-8
- Nikkaji
- J148.928C
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
- 11
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 229.1 · 229.1±35.0 °C(Predicted)
- Density
- 1.547 · 1.547±0.06 g/cm3(Predicted)
- pka
- 5.74 · 5.74±0.15(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
南京代盟化工有限公司02566880956 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
南京英士奇生物科技有限公司18727012071 18727012071 · [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…