1-Chlorooctane（CAS 111-85-3）：分子式 C8H17Cl、分子量 148.67；类别 有机化学品。
| CAS号 | 111-85-3 |
|---|---|
| 分子式 | C8H17Cl |
| 分子量 | 148.67 |
| 熔点 | -57.8 °C |
| 沸点 | 181.5 °C @ 760 MM HG |
| LogP | Log P= 4.73 |
| 应用领域 | 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. |
| 类别 | Organic Chemicals |
登记用途：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.。
1-Chlorooctane 是一种以碳骨架为基础的有机化合物，登记 CAS 号为 111-85-3，分子式 C8H17Cl（分子量 148.67），归属于有机化学品大类化工原料。
登记 CAS 号：111-85-3
其分子式 C8H17Cl 由 8 个碳、17 个氢、1 个氯 组成。
别名/同义词：1-Chlorooctane · Chlorooctane
所属分类：有机化学品
1-Chlorooctane 的 CAS 登记号为 111-85-3。
分子式 C8H17Cl，分子量 148.67。
别名/同义词：1-Chlorooctane、Chlorooctane。
登记用途：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.。
所属分类：Organic Chemicals。
1-Chlorooctane（CAS 111-85-3）的独立参考数据，整理自公开化学数据库。
| 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.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 1-Chlorooctane