CAS 623-25-6 alpha,alpha'-Dichloro-p-xylene (HCID 12171)

Names & identifiers

Preferred name: alpha,alpha'-Dichloro-p-xylene
IUPAC: 1,4-bis(chloromethyl)benzene
English name: alpha,alpha'-Dichloro-p-xylene
Molecular formula: C8H8Cl2
Molecular weight: 175.06

Names & synonyms

1,4-Bis(chloromethyl)benzene623-25-6alpha,alpha'-Dichloro-p-xyleneBenzene, 1,4-bis(chloromethyl)-Benzene, p-bis(chloromethyl)-p-Xylene-alpha,alpha'-dichlorideNSC-3697655E5A3M473DTXSID7022091RefChem:731391,4-bischloromethylbenzol1,4-bischloromethylbenzene

Show more names

PXCL2cp21645p-Xylylenep-DichloroxyleneDICHLORO-P-XYLENEP-xylene chloridea,a-DichloroxyleneXYLENEDICHLORIDE-PP-XYLENE DICHLORIDE

DTXCID302091210-782-7Dichlorodi-p-xylylenep-Xylylene dichloridep-Xylylene chloridep-Bis(chloromethyl)benzenea,a'-dichloro-p-xylene1,4-di(chloromethyl)benzene

Database identifiers

CAS: 623-25-6
PubChem CID: 12171
DTXSID: DTXSID7022091
UNII: 55E5A3M473
EC Number: 210-782-7
Nikkaji: J1.675F

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 73

Physicochemical properties

Melting point: 98 · 98-101 °C(lit.)
Boiling point: 254 °C · 254 °C(lit.)
Density: 1 · 1,417 g/cm3
vapor pressure: 0.541 Pa · 0.541Pa at 25℃
refractive index: 1.5544 · 1.5544 (estimate)
Flash point: 254 °C · 254°C
storage temp.: Inert atmosphere,Room Temperature
solubility: 50 mg/mL, · methanol: 50 mg/mL, clear
form: Crystalline Solid
color: White to light yellow
Water Solubility: hydrolysis
BRN: 774706 · 774706
InChI: 1S/C8H8Cl2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2
InChIKey: ZZHIDJWUJRKHGX-UHFFFAOYSA-N
SMILES: ClCc1ccc(CCl)cc1
LogP: 3 at · 3 at 25℃
CAS DataBase Reference: 623 · 623-25-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 55 E5A3M473 · 55E5A3M473
NIST Chemistry Reference: 1 · Benzene, 1,4-bis(chloromethyl)-(623-25-6)
EPA Substance Registry System: 1 · Benzene, 1,4-bis(chloromethyl)- (623-25-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335-H410
Precautionary statements: 273 · P273-P301+P312+P330-P302+P352-P305+P351+P338
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi,T+,C
Risk Statements: 22 · 22-36/38-36/37/38-26-50/53-34-36
Safety Statements: 26 · 26-36/37-45-36/37/39-28A-27
RIDADR: 3261 · 3261
WGK Germany: 3 · 3
RTECS: 4100000 · ZE4100000
F: 9 · 9-19-21
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29036990 · 29036990
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 2 InhalationAquatic · Acute Tox. 2 InhalationAquatic Acute 1Aquatic Chronic 1Skin Irrit. 2Skin Sens. 1A
REACH Registrations: Active
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (16.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (82.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (80.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H330 (16.1%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H400 (96.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (96.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P260, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P320, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 11 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

Regulatory Information · 2 items

Chemical: Benzene, 1,4-bis(chloromethyl)-

Status: Active Update: 18-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23918；Status: Active Update: 26-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34214

Hazard Classes and CategoriesAcute Tox. 4 (98.2%)；Skin Corr. 1B (16.1%)；Skin Irrit. 2 (82.1%)；Eye Irrit. 2 (80.4%)；Acute Tox. 2 (16.1%)；Aquatic Acute 1 (96.4%)；Aquatic Chronic 1 (96.4%)

Regulatory information

Regulatory Information · 2 items

Chemical: Benzene, 1,4-bis(chloromethyl)-

Status: Active Update: 18-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23918；Status: Active Update: 26-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34214

Safety data

F: 9-19-21
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: ZE4100000
ridadr: 3261
hs_code: 29036990
risk_code: 22-36/38-36/37/38-26-50/53-34-36
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xn,Xi,T+,C
hazard_note: Irritant
safety_code: 26-36/37-45-36/37/39-28A-27
hazard_class: 6.1
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: II
Hazard statements: H302-H315-H319-H335-H410
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Hazard Classifications: Acute Tox. 2 InhalationAquatic Acute 1Aquatic Chronic 1Skin Irrit. 2Skin Sens. 1A
Precautionary statements: P273-P301+P312+P330-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1,4-bis(chloromethyl)-: ACTIVE

Applications · 3 items

Usesα,α′-Dichloro-p-xylene is a monomer used in preparation of poly(p-phenylene vinylene(PPV) nanotubes and nanorods by chemical vapor deposition (CVD) polymerization method 1 . α,α′-Dichloro-p-xylene was used in a study to investigate the effect of CVD monomer selection and reaction conditions on the resulting PPV polymer layer composition and luminescence properties 2 .

Usesp-Xylylene dichloride is a monomer used in preparation of poly(p-phenylene vinylene(PPV) nanotubes and nanorods by chemical vapor deposition (CVD) polymerization method. It was used in a study to investigate the effect of CVD monomer selection and reaction conditions on the resulting PPV polymer layer composition and luminescence properties.

General Descriptionα,α′-Dichloro-p-xylene undergoes phase transfer catalysed polycondensation with t-butylcyanoacetate to form carbon-carbon chain polymer.