Barbituric acid

Modify Date: 2026-07-01 12:13:12

Barbituric acid structure	Common Name	Barbituric acid
	CAS Number	67-52-7	Molecular Weight	128.086
	Density	1.8±0.1 g/cm3	Boiling Point	372.7±25.0 °C at 760 mmHg
	Molecular Formula	C₄H₄N₂O₃	Melting Point	248-252 °C (dec.)(lit.)
	MSDS	N/A	Flash Point	179.2±23.2 °C

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	barbituric acid
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.8±0.1 g/cm3
Boiling Point	372.7±25.0 °C at 760 mmHg
Melting Point	248-252 °C (dec.)(lit.)
Molecular Formula	C₄H₄N₂O₃
Molecular Weight	128.086
Flash Point	179.2±23.2 °C
Exact Mass	128.022186
PSA	75.27000
LogP	-1.72
Vapour Pressure	0.0±1.9 mmHg at 25°C
Index of Refraction	1.709
InChIKey	HNYOPLTXPVRDBG-UHFFFAOYSA-N
SMILES	O=C1CC(=O)NC(=O)N1
Water Solubility	142 g/L (20 ºC)

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Barbituric acid MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CP8000000

CHEMICAL NAME :: Barbituric acid

CAS REGISTRY NUMBER :: 67-52-7

LAST UPDATED :: 199710

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C4-H4-N2-O3

MOLECULAR WEIGHT :: 128.10

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 :: >5 gm/kg

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

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 18,185,1971

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 505 mg/kg

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

REFERENCE :: YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 106,504,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81718 No. of Facilities: 28 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 700 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 81718 No. of Facilities: 79 (estimated) No. of Industries: 4 No. of Occupations: 5 No. of Employees: 3529 (estimated) No. of Female Employees: 1481 (estimated)

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes	Xi
Risk Phrases	R36/37/38
Safety Phrases	S24/25
WGK Germany	1
RTECS	CP8000000
HS Code	2933520000

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 9
CAS#:57-13-6 Urea CAS#:105-53-3 Diethyl malonate CAS#:504-17-6 4,6-Dihydroxy-2... CAS#:141-82-2 Malonic acid
CAS#:873-83-6 6-Aminouracil CAS#:100-52-7 Benzaldehyde CAS#:1190-39-2 Propanedioic ac... CAS#:511-67-1 5,5-Dibromo-2,4...
CAS#:699-40-1 5,5-dichloro-1,...
DownStream 10
CAS#:111709-57-0 5-[(2-nitrophen... CAS#:109480-64-0 5-[bis(methylsu... CAS#:3764-01-0 2,4,6-Trichloro... CAS#:14077-84-0 2,4,6(1H,3H,5H)...
CAS#:141266-44-6 EM20-25 CAS#:14167-75-0 1,3,5,5-tetraki... CAS#:480-68-2 5-Nitrobarbitur... CAS#:50270-27-4 2,4,6-Trichloro...
CAS#:504-07-4 Dihydrouracil CAS#:4270-27-3 6-Chlorouracil

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2933520000
Summary	HS: 2933520000. pyrimidine-2,4,6(1h,3h,5h)-trione. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tarrif:6.5%. general tariff:20.0%

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: Cysteine reactivity assessed as cysteine oxidation
Source: ChEMBL
Target: N/A
External Id: CHEMBL4351049

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ...
Source: 824
Target: N/A
External Id: P53MS837

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898

Name: Anticonvulsant activity against maximal electroshock-induced convulsion in Rattus nor...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3054814

Total 211, Current Page 1 of 22

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Pyrimidinetriol

Barbitursure

Balonylurea acid

T6VMVMV FHJ

Barbituric acid

N,N'-MALONYLUREA

barbituric

2,4,6-Trioxohexahydropyrimidine

Malonylurea

Pyrimidin-2,4,6(1H,3H,5H)-trion

2,4,6-Pyrimidinetrione

pyrimidine-2,4,6-trione

2,4,6(1H,3H,5H)-Pyrimidinetrione

ARBIBTONE ACID

4,6-Dihydroxy-2(5H)-pyrimidinone

2,4,6-Trihydroxypyrimidine

6-HYDROXYURACIL

EINECS 200-658-0

pyrimidine-2,4,6(1H,3H,5H)-trione

MFCD00006666

BarbituricAcidGr

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the molecular weight of barbituric acid?

A: Molecular weight of barbituric acid is 128.086.

Q: What is the CAS number of barbituric acid?

A: CAS number of barbituric acid is 67-52-7.

Q: What is the InChIKey of barbituric acid?

A: InChIKey of barbituric acid is HNYOPLTXPVRDBG-UHFFFAOYSA-N.

Q: What is the SMILES notation of barbituric acid?

A: SMILES notation of barbituric acid is O=C1CC(=O)NC(=O)N1.

Q: What is the melting point of barbituric acid?

A: Melting point of barbituric acid is 248-252 °C (dec.)(lit.).

Q: What English synonyms does barbituric acid have?

A: English synonyms of barbituric acid: Pyrimidinetriol, Barbitursure, Balonylurea acid, T6VMVMV FHJ, Barbituric acid, N,N'-MALONYLUREA, barbituric, 2,4,6-Trioxohexahydropyrimidine, Malonylurea, Pyrimidin-2,4,6(1H,3H,5H)-trion, 2,4,6-Pyrimidinetrione, pyrimidine-2,4,6-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, ARBIBTONE ACID, 4,6-Dihydroxy-2(5H)-pyrimidinone, 2,4,6-Trihydroxypyrimidine, 6-HYDROXYURACIL, EINECS 200-658-0, pyrimidine-2,4,6(1H,3H,5H)-trione, MFCD00006666, BarbituricAcidGr.

Q: What is the LogP of barbituric acid?

A: LogP of barbituric acid is -1.72.

Q: What is the boiling point of barbituric acid?

A: Boiling point of barbituric acid is 372.7±25.0 °C at 760 mmHg.

Q: What are the downstream products of barbituric acid?

A: Related downstream products(CAS) of barbituric acid: 111709-57-0;109480-64-0;3764-01-0;14077-84-0;141266-44-6;14167-75-0;480-68-2;50270-27-4;504-07-4;4270-27-3.

Q: How is the water solubility of barbituric acid?

A: Water solubility of barbituric acid: 142 g/L (20 ºC).

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Henan Tianfu Chemical Co., Ltd.

Zhongshan Xingrui Chemical Co. , Ltd.

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Barbituric acid
Price: Check
Purity: 99.5%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Henan Tianfu Chemical Co., Ltd.
China
Product Name: Barbituric acid_
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

Zhongshan Xingrui Chemical Co. , Ltd.
China
Product Name: Barbituric acid
Price: ￥Inquiry/25kg
Purity: 99.0%
Delivery: Inquiry
Contact: Wang Jie
Email: 3096638339@qq.com

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Barbituric acid

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.