CAS 1871-57-4 3-Chloro-2-chloromethyl-1-propene (HCID 15859)

Names & identifiers

Preferred name: 3-Chloro-2-chloromethyl-1-propene
IUPAC: 3-chloro-2-(chloromethyl)prop-1-ene
English name: 2-(Chloromethyl)allyltrichlorosilane
Molecular formula: C4H6Cl2
Molecular weight: 125

Names & synonyms

1871-57-43-CHLORO-2-CHLOROMETHYL-1-PROPENE1-Propene, 3-chloro-2-(chloromethyl)-3-Chloro-2-(chloromethyl)propene1,3-Dichloro-2-methylenepropane2-Chloromethyl-3-chloropropene2-Methylene-1,3-dichloropropane2-Methylenepropane-1,3-dichloridePropene, 3-chloro-2-(chloromethyl)-3-chloro-2-(chloromethyl)-1-propeneUNII-1XTP1GFW2A1XTP1GFW2A

Show more names

3-Chloro-2-(chloromethyl)prop-1-eneMETHALLYL DICHLORIDE1-Chloro-2-(chloromethyl)-2-propene2-(CHLOROMETHYL)-3-(TRICHLOROSILYL)PROPENE1,1-BIS(CHLOROMETHYL)ETHYLENE

2-chloromethyl-3-chloro-1-propeneEINECS 217-489-3NSC 88138BRN 1560178NSC-881382-(CHLOROMETHYL)ALLYL CHLORIDE1,1-bis(chloromethyl)etheneDTXSID3022166

Database identifiers

CAS: 1871-57-4
PubChem CID: 15859
DTXSID: DTXSID3022166
ChEMBL: CHEMBL160833
UNII: 1XTP1GFW2A
EC Number: 217-489-3
Nikkaji: J5.193D

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 43.5

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point: -14 °C · -14 °C (lit.)
Boiling point: 138 °C · 138 °C (lit.)
Density: 1.08 g/mL · 1.08 g/mL at 25 °C (lit.)
vapor density: 3.12 · 3.12 (vs air)
refractive index: 20 · n20/D 1.484(lit.)
Flash point: 98 °F · 98 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform, Ethyl Acetate (Slightly)
form: Liquid
color: Clear colorless to yellow
Specific Gravity: 1.08 · 1.08
explosive limit: 8.1 % · 8.1%
BRN: 1560178 · 1560178
InChI: 1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2
InChIKey: XJFZOSUFGSANIF-UHFFFAOYSA-N
SMILES: ClCC(=C)CCl
CAS DataBase Reference: 1871 · 1871-57-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 1 XTP1GFW2A · 1XTP1GFW2A
EPA Substance Registry System: 1 · 1-Propene, 3-chloro-2-(chloromethyl)- (1871-57-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS06
Signal word: Danger
Hazard statements: 226 · H226-H301-H315-H319-H330-H335
Precautionary statements: 210 · P210-P301+P310+P330-P302+P352-P304+P340+P310-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: T,Xi,F,N
Risk Statements: 14 · 14-34-36/37/38-25-10-36-50-23/25
Safety Statements: 26 · 26-27-36/37/39-45-36-16-61-37/39
RIDADR: 2987 · UN 2987 8/PG 2
WGK Germany: 3 · 3
RTECS: 7400000 · UC7400000
Autoignition Temperature: 896 °F · 896 °F
HazardClass: 6.1 · 6.1(a)
PackingGroup: I
HS Code: 29032990 · 29032990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 InhalationAcute · Acute Tox. 2 InhalationAcute Tox. 3 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: UC7400000
ridadr: UN 2987 8/PG 2
hs_code: 29032990
risk_code: 14-34-36/37/38-25-10-36-50-23/25
Signal word: Danger
Symbol(GHS): GHS02,GHS06
hazard_code: T,Xi,F,N
safety_code: 26-27-36/37/39-45-36-16-61-37/39
hazard_class: 6.1(a)
Storage Class: 3 - Flammable liquids
packing_group: I
target organs: Respiratory system
Hazard statements: H226-H301-H315-H319-H330-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 3 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Autoignition Temperature: 896 °F
Precautionary statements: P210-P301+P310+P330-P302+P352-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses3-Chloro-2-chloromethyl-1-propene can be used in the synthesis of 2,11-bis(methylidene)spermine, an inhibitor of spermine oxidase and branched side chains of conjugated polymers. It can also be used in the intermolecular [2+2] photocycloaddition during the total synthesis of ()-grandisol.