CAS 612-12-4 1,2-Bis(chloromethyl)benzene (HCID 11919)

Names & identifiers

Preferred name: 1,2-Bis(chloromethyl)benzene
IUPAC: 1,2-bis(chloromethyl)benzene
English name: 1,2-Bis(chloromethyl)benzene
Molecular formula: C8H8Cl2
Molecular weight: 175.06

Names & synonyms

1,2-Bis(chloromethyl)benzenealpha,alpha'-Dichloro-o-xyleneBenzene, 1,2-bis(chloromethyl)-CCRIS 1773DTXSID7052284EINECS 210-291-8NSC 71934alpha,alpha-Dichloro-o-xyleneBRN 2043675AI3-16046.alpha.,.alpha.'-Dichloro-o-xyleneDTXCID7030856

Show more names

o-Xylyleneo-Dichlorobenzylo-Bis(chloromethyl)benzeneoro-o-xyLα,α'-DichLo-xylenedichlorideO-XYLYLENE CHLORIDE1,2-Bis(chloromethyl1,2 - Dichloroxylene

.alpha.,.alpha.-Dichloro-o-xylene4-05-00-00927 (Beilstein Handbook Reference)RefChem:71728210-291-8FMGGHNGKHRCJLL-UHFFFAOYSA-NInChI=1/C8H8Cl2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H612-12-4o-Xylylene dichloride

Database identifiers

CAS: 612-12-4
PubChem CID: 11919
DTXSID: DTXSID7052284
ChEMBL: CHEMBL3561068
UNII: JF92PCB8TM
EC Number: 210-291-8
Nikkaji: J1.658F

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: 81.3

Experimental & physicochemical properties

SpringerMaterials PropertiesFusion temperature

Physicochemical properties

Melting point: 51 · 51-55 °C (lit.)
Boiling point: 239 · 239-241 °C (lit.)
Density: 1.393 · 1.3930
refractive index: 1.5544 · 1.5544 (estimate)
Flash point: 226 °F · 226 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: soluble in Methanol
form: Crystals or Crystalline Powder
color: white to light beige
Water Solubility: hydrolysis
BRN: 2043675 · 2043675
Henry's Law Constant: 1 · 1.0×10-1 mol/(m3Pa) at 25℃, Hiatt (2013)
InChI: 1S/C8H8Cl2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2
InChIKey: FMGGHNGKHRCJLL-UHFFFAOYSA-N
SMILES: ClCc1ccccc1CCl
CAS DataBase Reference: 612 · 612-12-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
NIST Chemistry Reference: 1 · Benzene, 1,2-bis(chloromethyl)-(612-12-4)
EPA Substance Registry System: 1 · 1,2-Bis(chloromethyl)benzene (612-12-4)
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: 261 · P261-P264-P273-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C,Xi
Risk Statements: 34 · 34-36/37-36/37/38-50/53-26-22-36
Safety Statements: 26 · 26-27-28-36/37/39-45-24/25-61-29-28A
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 2 · 2
RTECS: 4085000 · ZE4085000
F: 19 · 19
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29036990 · 29036990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (19.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P320, P321, P330, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24371

Hazard Classes and CategoriesAcute Tox. 4 (19.6%)

Safety data

F: 19
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 2
tsca: TSCA listed
rtecs: ZE4085000
ridadr: UN 3261 8/PG 2
hs_code: 29036990
risk_code: 34-36/37-36/37/38-50/53-26-22-36
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: C,Xi
safety_code: 26-27-28-36/37/39-45-24/25-61-29-28A
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: II
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335-H410
REACH Registrations: Inactive
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P273-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1,2-bis(chloromethyl)-: ACTIVE

Applications · 3 items

Uses1,2-Bis(chloromethyl)benzene is used in solid-phase synthesis of large combinatorial variations of fundamental peptide unit 1 .

Usesα,α′Dichloro-o-xylene was used in solid-phase synthesis of large combinatorial variations of fundamental peptide unit.

General Descriptionα,α′-Dichloro-o-xylene reacts with elemental tellurium and NaI in 2-methoxyethanol to form 1,1-diiodo-3,4-benzo-1-telluracyclopentane.