CAS 123-04-6|UNII:1T84ZY4DN7

Introduction：Basic information about CAS 123-04-6|UNII:1T84ZY4DN7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Synonyms

Common Name	UNII:1T84ZY4DN7
CAS Number	123-04-6	Molecular Weight	148.674
Density	0.9±0.1 g/cm3	Boiling Point	173.4±8.0 °C at 760 mmHg
Molecular Formula	C₈H₁₇Cl	Melting Point	-70 °C
MSDS	/	Flash Point	52.5±16.5 °C

Names

Name	3-(Chloromethyl)heptane
Synonym	More Synonyms

Chemical & Physical Properties

Density	0.9±0.1 g/cm3
Boiling Point	173.4±8.0 °C at 760 mmHg
Melting Point	-70 °C
Molecular Formula	C₈H₁₇Cl
Molecular Weight	148.674
Flash Point	52.5±16.5 °C
Exact Mass	148.101883
LogP	4.51
Vapour Pressure	1.7±0.3 mmHg at 25°C
Index of Refraction	1.423
InChIKey	WLVCBAMXYMWGLJ-UHFFFAOYSA-N
SMILES	CCCCC(CC)CCl
Water Solubility	0.0503 g/L (20 ºC)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MI8760000

CHEMICAL NAME :: Heptane, 3-chloromethyl-

CAS REGISTRY NUMBER :: 123-04-6

BEILSTEIN REFERENCE NO. :: 1697456

LAST UPDATED :: 199701

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C8-H17-Cl

MOLECULAR WEIGHT :: 148.70

WISWESSER LINE NOTATION :: G1Y4&2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,745,1969

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,102,1986

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,102,1986 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 7340 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2000 ppm/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 15800 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 10 mg/m3 JAN 1993

Safety Information

Hazard Codes	Xi:Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S37/39-S26
RTECS	MI8760000
Packaging Group	I; II; III
HS Code	2903199000

Customs

HS Code	2903199000
Summary	2903199000 other saturated chlorinated derivatives of acyclic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Synonyms

Hexane, 1-chloro-2-ethyl-

3-chloromethyl-heptan

3-(CHLOROMETHYL)-HEPTANE

2-Aethyl-hexylchlorid

2-Ethylhexyl Chloride

UNII:1T84ZY4DN7

Heptane, 3- (chloromethyl)-

1-CHLORO-2-ETHYLHEXANE

EINECS 204-594-4

Isooctylchloride

MFCD00018940

3-(Chloromethyl)heptane

Chloro-iso-octane

3-Chlormethyl-heptan

Heptane, 3-(chloromethyl)-

Hexane, 1-chloro-2-ethyl-,

3-chloromethyl-heptane

Barchlor(R) 8I

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