Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: UNII:1T84ZY4DN7
Price: ￥348.0/100ml ￥118.0/25ml
Purity: 98.0%
Stocking Period: 3 Day
Contact: Liu jia

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 3-(Chloromethyl)heptane
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

123-04-6

123-04-6 structure

Name: UNII:1T84ZY4DN7
Chemical Name: 3-(Chloromethyl)heptane
CAS Number: 123-04-6
Molecular Formula: C₈H₁₇Cl
Molecular Weight: 148.674
Catalog: Chemical reagent Organic reagent Halogenated aliphatic hydrocarbon
Create Date: 2018-07-01 15:30:12
Modify Date: 2024-01-02 12:49:49

Name	3-(Chloromethyl)heptane
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

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
Water Solubility	0.0503 g/L (20 ºC)

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

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

104-76-7

~97%

123-04-6

Literature: Degussa AG Patent: US2006/205987 A1, 2006 ; Location in patent: Page/Page column 5 ;

24468-13-1

~85%

123-04-6

Literature: Richter, Reinhard; Tucker, Benjamin Journal of Organic Chemistry, 1983 , vol. 48, # 15 p. 2625 - 2627

301-13-3

2315-36-8

~0%

123-04-6

66258-31-9

Literature: Chauzov, V. A.; Studnev, Yu. N.; Iznoskova, M. G.; Fokin, A. V. J. Gen. Chem. USSR (Engl. Transl.), 1987 , vol. 57, # 1 p. 110 - 113,93 - 95

104-76-7

115-86-6

770-12-7

2524-64-3

Detail

Literature: EP1526137 A1, ; Page/Page column 5-6 ;

Precursor 7
104-76-7 24468-13-1 301-13-3 2315-36-8
115-86-6 770-12-7 2524-64-3
DownStream 7
7341-17-5 589-81-1 13067-81-7 13281-06-6
1653-16-3 16679-04-2 96582-33-1

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%

56-41-7	108-65-6
56-35-9	64-17-5
67-56-1	108-88-3
141-78-6	1310-73-2
13463-67-7	1333-86-4