Chlorooctane (CAS 111-85-3) — formula C8H17Cl, molecular weight 148.67.
| CAS Number | 111-85-3 |
|---|---|
| Molecular Formula | C8H17Cl |
| Molecular Weight | 148.67 |
| Melting Point | -57.8 °C |
| Boiling Point | 181.5 °C @ 760 MM HG |
| LogP | Log P= 4.73 |
| Applications | Uses: Used to make organometallics, as an alkylating agent in organic synthesis, and as a stabilizer for dibutylmagnesium, [HSDB], CHEMICAL INT, IN MFR OF ORGANOMETALLICS, CHEM INT FOR OCTYLDIALKYLAMINES & OCTYL QUATERNARY AMINES, ALKYLATING AGENT IN ORG SYNTH, Used as a chemical intermediate for the synthesis of dimethyldioctylammonium chloride, tetra-n-octyltin., 1-Chlorooctane is used as a stabilizer for dibutylmagnesium (or n-butyl-sec-butylmagnesium)., Industry Uses: Intermediate, Methods of Manufacturing: n-Octanol + hydrogen chloride, anhydrous (alcohol chlorination), Formulations, Preparations: Commercial products have 95% C8 content., U.S. Production: 2023: 58, 520 lb, 2022: 94, 325 lb, 2021: 103, 180 lb, 2020: 74, 690 lb, (1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS, (1981) PROBABLY GREATER THAN 4.54X10+6 GRAMS, General Manufacturing Information: Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, All Other Basic Organic Chemical Manufacturing, Octane, 1-chloro-: ACTIVE, CMPD CONTAINING THE MONO- OR DICHLOROHYDROCARBONS AS ACTIVE INGREDIENTS ARE EFFECTIVE IN CONTROLLING COCCIDIOSIS IN DOMESTIC FOWLS. THUS, 1-CHLOROOCTANE 70 AND SURFACTANTS 30 PARTS WERE MIXED TO GIVE AN EMULSION PREPN. PREPN WAS DILUTED TO 40-100-FOLD & APPLIED TO CHICKEN HOUSES. |
Documented applications: Uses: Used to make organometallics, as an alkylating agent in organic synthesis, and as a stabilizer for dibutylmagnesium, [HSDB], CHEMICAL INT, IN MFR OF ORGANOMETALLICS, CHEM INT FOR OCTYLDIALKYLAMINES & OCTYL QUATERNARY AMINES, ALKYLATING AGENT IN ORG SYNTH, Used as a chemical intermediate for the synthesis of dimethyldioctylammonium chloride, tetra-n-octyltin., 1-Chlorooctane is used as a stabilizer for dibutylmagnesium (or n-butyl-sec-butylmagnesium)., Industry Uses: Intermediate, Methods of Manufacturing: n-Octanol + hydrogen chloride, anhydrous (alcohol chlorination), Formulations, Preparations: Commercial products have 95% C8 content., U.S. Production: 2023: 58, 520 lb, 2022: 94, 325 lb, 2021: 103, 180 lb, 2020: 74, 690 lb, (1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS, (1981) PROBABLY GREATER THAN 4.54X10+6 GRAMS, General Manufacturing Information: Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, All Other Basic Organic Chemical Manufacturing, Octane, 1-chloro-: ACTIVE, CMPD CONTAINING THE MONO- OR DICHLOROHYDROCARBONS AS ACTIVE INGREDIENTS ARE EFFECTIVE IN CONTROLLING COCCIDIOSIS IN DOMESTIC FOWLS. THUS, 1-CHLOROOCTANE 70 AND SURFACTANTS 30 PARTS WERE MIXED TO GIVE AN EMULSION PREPN. PREPN WAS DILUTED TO 40-100-FOLD & APPLIED TO CHICKEN HOUSES..
Chlorooctane is a chemical compound with CAS registry number 111-85-3 and molecular formula C8H17Cl (molecular weight 148.67).
CAS number: 111-85-3
Its molecular formula C8H17Cl comprises 8 C, 17 H, 1 Cl atoms.
Also known as: Chlorooctane · 氯辛烷 · 1-Chlorooctane
The CAS registry number of Chlorooctane is 111-85-3.
Molecular formula C8H17Cl, molecular weight 148.67.
It is also registered under: Chlorooctane, 氯辛烷, 1-Chlorooctane.
Recorded applications: Uses: Used to make organometallics, as an alkylating agent in organic synthesis, and as a stabilizer for dibutylmagnesium, [HSDB], CHEMICAL INT, IN MFR OF ORGANOMETALLICS, CHEM INT FOR OCTYLDIALKYLAMINES & OCTYL QUATERNARY AMINES, ALKYLATING AGENT IN ORG SYNTH, Used as a chemical intermediate for the synthesis of dimethyldioctylammonium chloride, tetra-n-octyltin., 1-Chlorooctane is used as a stabilizer for dibutylmagnesium (or n-butyl-sec-butylmagnesium)., Industry Uses: Intermediate, Methods of Manufacturing: n-Octanol + hydrogen chloride, anhydrous (alcohol chlorination), Formulations, Preparations: Commercial products have 95% C8 content., U.S. Production: 2023: 58, 520 lb, 2022: 94, 325 lb, 2021: 103, 180 lb, 2020: 74, 690 lb, (1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS, (1981) PROBABLY GREATER THAN 4.54X10+6 GRAMS, General Manufacturing Information: Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, All Other Basic Organic Chemical Manufacturing, Octane, 1-chloro-: ACTIVE, CMPD CONTAINING THE MONO- OR DICHLOROHYDROCARBONS AS ACTIVE INGREDIENTS ARE EFFECTIVE IN CONTROLLING COCCIDIOSIS IN DOMESTIC FOWLS. THUS, 1-CHLOROOCTANE 70 AND SURFACTANTS 30 PARTS WERE MIXED TO GIVE AN EMULSION PREPN. PREPN WAS DILUTED TO 40-100-FOLD & APPLIED TO CHICKEN HOUSES..
Independent reference data for Chlorooctane (CAS 111-85-3), compiled from public chemistry databases.
| CAS Registry Number | 111-85-3 |
|---|---|
| PubChem CID | 8142 |
| Molecular formula | C8H17Cl |
| IUPAC name | 1-chlorooctane |
| UNII (FDA) | E1047328LO |
| Molecular Weight | 148.67 |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 6 |
| Exact Mass | 148.1018782 |
| Monoisotopic Mass | 148.1018782 |
| Topological Polar Surface Area | 0 |
| Heavy Atom Count | 9 |
| Boiling Point | 181.5 °C @ 760 MM HG |
|---|---|
| Melting Point | -57.8 °C |
| Flash Point | 70 °C |
| Flash Point | 158 °F |
| Density | 0.8738 @ 20 °C/4 °C |
| Vapor Pressure | 0.95 [mmHg] |
| Vapor Pressure | 0.95 mm Hg at 25 °C |
| LogP | Log P= 4.73 |
| LogP | 4.73 |
| Heat of Vaporization | 12.73 kcal/mol at 25 °C |
1-CHLOROOCTANE; 111-85-3; Octyl chloride; n-Octyl chloride; Octane, 1-chloro-; Capryl chloride; 1-Octyl chloride; DTXSID0021543; HSDB 5551; NSC 5406; NSC-5406; EINECS 203-915-5; E1047328LO; 1-CHLOROOCTANE [HSDB]; DTXCID501543; EC 203-915-5
| Reported hazard statements | H304 (56.6%), H400 (86.9%), H410 (47.5%), H411 (55.1%), H227 |
|---|
H304 (56.6%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
H400 (86.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
1-Chlorooctane · CAS 111-85-3 · C8H17Cl. UNII E1047328LO. Boiling Point: 181.5 °C @ 760 MM HG; Melting Point: -57.8 °C; Flash Point: 70 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 氯辛烷