Benzoxazole

Modify Date: 2025-08-20 19:28:36

Benzoxazole structure	Common Name	Benzoxazole
	CAS Number	273-53-0	Molecular Weight	119.121
	Density	1.2±0.1 g/cm3	Boiling Point	182.5±9.0 °C at 760 mmHg
	Molecular Formula	C₇H₅NO	Melting Point	27-30 °C(lit.)
	MSDS	Chinese USA	Flash Point	65.3±14.6 °C
	Symbol	GHS07	Signal Word	Warning

Name	1,3-benzoxazole
Synonym	More Synonyms

Density	1.2±0.1 g/cm3
Boiling Point	182.5±9.0 °C at 760 mmHg
Melting Point	27-30 °C(lit.)
Molecular Formula	C₇H₅NO
Molecular Weight	119.121
Flash Point	65.3±14.6 °C
Exact Mass	119.037117
PSA	26.03000
LogP	1.59
Vapour Pressure	1.1±0.3 mmHg at 25°C
Index of Refraction	1.609
InChIKey	BCMCBBGGLRIHSE-UHFFFAOYSA-N
SMILES	c1ccc2ocnc2c1
Water Solubility	Insoluble

Benzoxazole MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DM4375000

CHEMICAL NAME :: Benzoxazole

CAS REGISTRY NUMBER :: 273-53-0

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C7-H5-N-O

MOLECULAR WEIGHT :: 119.13

WISWESSER LINE NOTATION :: T56 BN DOJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 750 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 :: 250 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 :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 179 mg/kg

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

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 105,486,1952

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302-H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	F:Flammable;Xn:Harmful;
Risk Phrases	R11;R22;R36/37/38
Safety Phrases	S26-S36/37/39-S37/39
RIDADR	1325
WGK Germany	3
RTECS	DM4375000
Packaging Group	III
Hazard Class	4.1
HS Code	2934999090

Precursor 8
CAS#:95-55-6 aminophenol CAS#:4819-77-6 Ethane, 1,1,2-t... CAS#:90-02-8 Salicylaldehyde CAS#:122-51-0 Triethyl orthof...
CAS#:13673-62-6 2-(Methylthio)b... CAS#:149-73-5 Trimethyl ortho... CAS#:93-55-0 Phenyl ethyl ketone CAS#:2382-96-9 2-Benzoxazolethione
DownStream 10
CAS#:10450-11-0 N-Cyclohexyl-2-... CAS#:59-49-4 2-Benzoxazolinone CAS#:78213-03-3 6-Hydroxy-2-ben... CAS#:106050-82-2 3-(2'-oxo-2',3'...
CAS#:106050-81-1 6-benzoxazolol CAS#:111836-60-3 2-(3,4-dihydron... CAS#:4411-80-7 6,6'-Dimethyl-2... CAS#:64819-72-3 2-(6-methylpyri...
CAS#:4570-41-6 Benzooxazol-2-y... CAS#:2843-27-8 Formamide,N-(2-...

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

Toward prediction of alkane/water partition coefficients.

J. Med. Chem. 51 , 3720-30, (2008)

Partition coefficients were measured for 47 compounds in the hexadecane/water ( P hxd) and 1-octanol/water ( P oct) systems. Some types of hydrogen bond acceptor presented by these compounds to the pa...

Name: Octanol-water distribution coefficient, log D at pH 7.4 by shake-flask technique
Source: ChEMBL
Target: N/A
External Id: CHEMBL948522

Name: Cytotoxicity against human NCI-H522 cells assessed as reduction in cell viability inc...
Source: ChEMBL
Target: NCI-H522
External Id: CHEMBL5142939

Name: Hexadecane-water distribution coefficient, log D at pH 7.4 by shake-flask technique
Source: ChEMBL
Target: N/A
External Id: CHEMBL949564

Name: Cytotoxicity against human HCT-116 cells assessed as reduction in cell viability incu...
Source: ChEMBL
Target: HCT-116
External Id: CHEMBL5142938

Total 4, Current Page 1 of 1

1,3-Benzoxazole

benzoxazoline

Benzoxazole

benzoxazol

Benzo[d]oxazole

1-Oxa-3-aza-1H-indene

USAF EK-5017

1-Oxa-3-azaindene

1,4-benzoxazole

Benzooxazole

EINECS 205-988-9

benz<b>oxazole

MFCD00005765

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Benzoxazole
Price: Check
Purity: 98.0%
Delivery: 10 Day
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Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Benzoxazole
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
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Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: Benzoxazole
Price: ￥438.0/100g ￥158.0/25g
Purity: 98.0%
Delivery: Inquiry
Contact: Liu jia
Email: 2130147988@qq.com

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Benzoxazole

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