CAS 2788-86-5 4-Chlorostyrene oxide (HCID 197010)

Names & identifiers

Preferred name: 4-Chlorostyrene oxide
IUPAC: 2-(4-chlorophenyl)oxirane
English name: 2-(4-CHLOROPHENYL)OXIRANE
Molecular formula: C8H7ClO
Molecular weight: 154.59

Names & synonyms

2788-86-54-Chlorostyrene oxidep-Chlorostyrene oxideOxirane, (4-chlorophenyl)-(p-Chlorophenyl)oxirane(4-Chlorophenyl)oxiraneBenzene, 1-chloro-4-(epoxyethyl)-4-Chloroepoxystyrene4-chlorophenyloxiraneBRN 00029291M51K7C6ACUNII-1M51K7C6AC

Show more names

(4-chlorophenyl)-oxiranTulobuterol Impurity 412-(P-CHLOROPHENYL)OXIRANE(^+)-4-Chlorostyrene oxide2-(4-Chlorophenyl)oxirane 96%

4-CHLOROSTYRENE EPOXIDE5-17-01-00578 (Beilstein Handbook Reference)OXIRANE, 2-(4-CHLOROPHENYL)-RefChem:98624Oxirane, (4-chlorophenyl)-(9CI)4-CHLOROSTYRENE OXIDE, (+-)-IBWLXNDOMYKTAD-UHFFFAOYSA-N2-(4-Chlorophenyl)oxirane

Database identifiers

CAS: 2788-86-5、97466-49-4
PubChem CID: 197010
DTXSID: DTXSID90950565
UNII: 1M51K7C6AC
EC Number: 627-880-4、875-893-0
Nikkaji: J2.166K、J475.254F

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 118

Experimental & physicochemical properties

Kovats Retention Index1767.3；1773.2

Physicochemical properties

Boiling point: 230 ℃ · 230℃
Density: 1.283 g/mL · 1.283 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5520(lit.)
Flash point: 68 °F · 68 °F
storage temp.: -20 °C · Storage temp. -20°C
Specific Gravity: 1.2169 · 1.2169
Appearance: Colorless to off-white Liquid
Water Solubility: Not miscible or difficult to mix with water.
InChI: 1S/C8H7ClO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2
InChIKey: IBWLXNDOMYKTAD-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1)C2CO2
CAS DataBase Reference: 2788 · 2788-86-5(CAS DataBase Reference)
FDA UNII: 1 M51K7C6AC · 1M51K7C6AC
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H315-H317-H319-H335
Precautionary statements: 210 · P210-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,Xn
Risk Statements: 11 · 11-36/37/38-43
Safety Statements: 16 · 16-26-36/37
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
RTECS: 527000 · CZ0527000
PackingGroup: II
HS Code: 2932990090 · 2932990090
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H225 (91.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (91.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P272, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 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 CategoriesFlam. Liq. 2 (91.1%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (91.1%)；Eye Irrit. 2 (100%)；STOT SE 3 (88.9%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: CZ0527000
ridadr: UN 1993 3/PG 2
hs_code: 2932990090
risk_code: 11-36/37/38-43
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: F,Xn
safety_code: 16-26-36/37
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H225-H315-H317-H319-H335
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P210-P280-P302+P352-P305+P351+P338