2-Chloro-4,5-dimethylphenol

HCID 70754

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1124-04-5
Standard SMILES: Cc1cc(O)c(Cl)cc1C
InChIKey: PSOJLBXHRBFLLQ-UHFFFAOYSA-N
Molecular formula: C8H9ClO
Average molar mass: 156.61 g/mol
Monoisotopic mass: 156.0341926

Names & identifiers

Preferred name: 2-Chloro-4,5-dimethylphenol
IUPAC: 2-chloro-4,5-dimethylphenol
English name: 2-Chloro-4,5-dimethylphenol
Molecular formula: C8H9ClO
Molecular weight: 156.61

Names & synonyms

2-Chloro-4,5-dimethylphenol1124-04-5Banol phenol6-Chloro-3,4-xylenolPhenol, 2-chloro-4,5-dimethyl-3,4-Dimethyl-6-chlorophenol3,4-Xylenol, 6-chloro-DTXSID8041404UNII-601F79M480EINECS 214-386-5NSC 60149NSC-60149

Show more names

6-Chloro-3,4-dimethylphenol2-CHLORO-4 5-DIMETHYLPHENOL 99%

601F79M480DTXCID6021404CHLORO-4,5-XYLENOL, 2-RefChem:53634214-386-52-Chloro-4,5-xylenolMFCD00002173NSC60149

Database identifiers

CAS: 1124-04-5
PubChem CID: 70754
DTXSID: DTXSID8041404
ChEMBL: CHEMBL3183654
UNII: 601F79M480
EC Number: 214-386-5
Nikkaji: J203.361E

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 116

Experimental & physicochemical properties

Kovats Retention Index1210

Physicochemical properties

Melting point: 70 · 70-72°C
Boiling point: 237 · 237.0±35.0 °C(Predicted)
Density: 1.183 · 1.183±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 8.92 · 8.92±0.23(Predicted)
BRN: 2042057 · 2042057
FDA UNII: 601 F79M480 · 601F79M480
EPA Substance Registry System: 2 · 2-Chloro-4,5-dimethylphenol (1124-04-5)
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

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 · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 5 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-37/39
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Upstream & downstream products

Downstream products

1-chloro-2-methoxy-4,5-dimethylbenzene

Suppliers23 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

安徽合诺生物科技有限公司0555-2761852

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Related reactions

2 records

New reaction record

HRID 185094As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 855005As reactantuspto-grants-2007_08

Compound notes

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