2-Amino-6-chlorobenzoxazole

Modify Date: 2024-01-12 18:55:41

2-Amino-6-chlorobenzoxazole Structure
2-Amino-6-chlorobenzoxazole structure
Common Name 2-Amino-6-chlorobenzoxazole
CAS Number 52112-68-2 Molecular Weight 168.58000
Density 1.481g/cm3 Boiling Point 316.8ºC at 760 mmHg
Molecular Formula C7H5ClN2O Melting Point N/A
MSDS N/A Flash Point 145.4ºC

 Names

Name 2-Amino-6-chlorobenzoxazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.481g/cm3
Boiling Point 316.8ºC at 760 mmHg
Molecular Formula C7H5ClN2O
Molecular Weight 168.58000
Flash Point 145.4ºC
Exact Mass 168.00900
PSA 52.05000
LogP 2.64460
Index of Refraction 1.692

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 2-Amino-6-chlorobenzoxazole
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:2-Amino-6-chlorobenzoxazole
CAS number:52112-68-2

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C7H5ClN2O
Molecular weight:168.6

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM4560000
CHEMICAL NAME :
Benzoxazole, 2-amino-6-chloro-
CAS REGISTRY NUMBER :
52112-68-2
LAST UPDATED :
199712
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C7-H5-Cl-N2-O
MOLECULAR WEIGHT :
168.59
WISWESSER LINE NOTATION :
T56 BN DOJ CZ GG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
226 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),338,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
123 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),338,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),336,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
347 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),336,1964

 Safety Information

Hazard Codes Xi
HS Code 2934999090

 Synthetic Route

~%

2-Amino-6-chlorobenzoxazole Structure

2-Amino-6-chlor...

CAS#:52112-68-2

Literature: Chikhale, Rupesh V.; Pant, Amit M.; Menghani, Sunil S.; Wadibhasme, Pankaj G.; Khedekar, Pramod B. South African Journal of Chemistry, 2013 , vol. 66, p. 254 - 262

~%

2-Amino-6-chlorobenzoxazole Structure

2-Amino-6-chlor...

CAS#:52112-68-2

Literature: Sam,J.; Plampin,J.N. Journal of Pharmaceutical Sciences, 1964 , vol. 53, p. 538 - 544

~62%

2-Amino-6-chlorobenzoxazole Structure

2-Amino-6-chlor...

CAS#:52112-68-2

Literature: Gilchrist, Thomas L.; Harris, C. John; King, Frank D.; Peek, Michael E.; Rees, Charles W. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1988 , p. 2169 - 2174

~%

2-Amino-6-chlorobenzoxazole Structure

2-Amino-6-chlor...

CAS#:52112-68-2

Literature: Chikhale, Rupesh V.; Pant, Amit M.; Menghani, Sunil S.; Wadibhasme, Pankaj G.; Khedekar, Pramod B. South African Journal of Chemistry, 2013 , vol. 66, p. 254 - 262

~%

2-Amino-6-chlorobenzoxazole Structure

2-Amino-6-chlor...

CAS#:52112-68-2

Literature: Palazzo; Tornetta Annali di Chimica (Rome, Italy), 1958 , vol. 48, p. 657,660

~%

2-Amino-6-chlorobenzoxazole Structure

2-Amino-6-chlor...

CAS#:52112-68-2

Literature: Palazzo; Tornetta Bollettino delle Sedute della Accademia Gioenia di Scienze Naturali in Catania, 1957 , vol. <4> 4, p. 205,213

~%

2-Amino-6-chlorobenzoxazole Structure

2-Amino-6-chlor...

CAS#:52112-68-2

Literature: Acheson; Taylor Journal of the Chemical Society, 1956 , p. 4727,4730

~%

2-Amino-6-chlorobenzoxazole Structure

2-Amino-6-chlor...

CAS#:52112-68-2

Literature: Acheson; Taylor Journal of the Chemical Society, 1956 , p. 4727,4730

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

6-chloro-1,3-benzoxazol-2-amine
6-Chlorobenzo[d]oxazol-2-amine