Basic information
- CAS
1124-05-6- Standard SMILES
Cc1cc(Cl)c(C)cc1Cl- InChIKey
UTGSRNVBAFCOEU-UHFFFAOYSA-N- Molecular formula
- C8H8Cl2
- Average molar mass
- 175.05 g/mol
- Monoisotopic mass
- 174.0003056
Names & identifiers
- Preferred name
- 1,4-Dichloro-2,5-dimethylbenzene
- IUPAC
- 1,4-dichloro-2,5-dimethylbenzene
- English name
- 2,5-Dichloro-p-xylene
- Molecular formula
- C8H8Cl2
- Molecular weight
- 175.06
Names & synonyms
Show more names
Database identifiers
- CAS
1124-05-6- PubChem CID
- 70755
- DTXSID
DTXSID5044780- ChEMBL
CHEMBL3185647- UNII
- 7P8M86ZOB2
- EC Number
- 214-387-0
- Nikkaji
- J80.174G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99
Experimental & physicochemical properties
Kovats Retention Index
1218
1220;1242;1215
Physicochemical properties
- Melting point
- 69 · 69-70 °C (lit.)
- Boiling point
- 222 °C · 222 °C (lit.)
- Density
- 1.252 · 1.2520 (estimate)
- refractive index
- 1.5544 · 1.5544 (estimate)
- Flash point
- 221 · 221-223°C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Sparingly), DMSO (Slightly, Heated), Hexanes (Slightly), Methanol
- form
- Solid
- color
- White to Pale Yellow
- Henry's Law Constant
- 2.7 · 2.7×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- 1S/C8H8Cl2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
- InChIKey
- UTGSRNVBAFCOEU-UHFFFAOYSA-N
- SMILES
- Cc1cc(Cl)c(C)cc1Cl
- CAS DataBase Reference
- 1124 · 1124-05-6(CAS DataBase Reference)
- FDA UNII
- 7 P8M86ZOB2 · 7P8M86ZOB2
- NIST Chemistry Reference
- 1 · Benzene, 1,4-dichloro-2,5-dimethyl-(1124-05-6)
- EPA Substance Registry System
- 2 · 2,5-Dichloro-p-xylene (1124-05-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2903.99 · 2903.99.8001
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2903.99.8001
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
Applications
Uses2,5-Dichloro-1,4-dimethylbenzene can be used to produce phototropic photosensitive composition containing fluoran colorformer.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Related reactions
Compound notes
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