hydracrylonitrile

Modify Date: 2026-06-30 19:54:47

hydracrylonitrile Structure
hydracrylonitrile structure
 Common Name hydracrylonitrile
CAS Number 109-78-4 Molecular Weight 71.078
Density 1.0±0.1 g/cm3 Boiling Point 229.6±13.0 °C at 760 mmHg
Molecular Formula C3H5NO Melting Point -46 °C
MSDS Chinese USA Flash Point 92.7±19.8 °C

Summary: 3-Hydroxypropionitrile, also known as hydracrylonitrile, has a CAS number of 109-78-4. Its molecular formula is C3H5NO, with a molecular weight of 71.078. It appears as a colorless or straw yellow liquid with a melting point of -46 °C and a boiling point of 229.6±13.0 °C, and a density of 1.0±0.1 g/cm3. It is used as a pharmaceutical and organic synthesis intermediate, as well as a solvent for cellulose esters and many inorganic salts. For research-use only, not for medical or clinical usage.

 Names

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

Name 3-Hydroxypropionitrile
Synonym More Synonyms

 Chemical & Physical Properties

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

Density 1.0±0.1 g/cm3
Boiling Point 229.6±13.0 °C at 760 mmHg
Melting Point -46 °C
Molecular Formula C3H5NO
Molecular Weight 71.078
Flash Point 92.7±19.8 °C
Exact Mass 71.037117
PSA 44.02000
LogP -0.94
Vapour density 2.5 (vs air)
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.419
InChIKey WSGYTJNNHPZFKR-UHFFFAOYSA-N
SMILES N#CCCO
Stability Stable. Flammable. Incompatible with strong oxidizing agents. Reacts with water or steam to release toxic vapours. Reacts violently with acids, amines, inorganic bases. Corrodes mild steel.
Water Solubility >=10 g/100 mL at 20 ºC

 MSDS

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

 Toxicological Information

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MU5250000
CHEMICAL NAME :
Hydracrylonitrile
CAS REGISTRY NUMBER :
109-78-4
BEILSTEIN REFERENCE NO. :
0635773
LAST UPDATED :
199710
DATA ITEMS CITED :
16
MOLECULAR FORMULA :
C3-H5-N-O
MOLECULAR WEIGHT :
71.09
WISWESSER LINE NOTATION :
Q2CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 26,269,1944
TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 8/18/1967
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4875,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4875,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1800 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: 8,371,1953
TYPE OF TEST :
LC33 - Lethal Concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 mg/m3/2H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,66,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
900 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: 8,371,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
5 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 8/18/1967 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8100 mg/kg/90D-C
TOXIC EFFECTS :
Brain and Coverings - changes in brain weight Cardiac - changes in heart weight
REFERENCE :
JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 2,31,1976 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 100 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - E0469 No. of Facilities: 4 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 348 (estimated) No. of Female Employees: 30 (estimated)

 Safety Information

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

Personal Protective Equipment Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases S26-S36-S24/25
RIDADR 2810
WGK Germany 1
RTECS MU5250000
HS Code 29269095

 Synthetic Route

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

 Customs

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

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Articles7

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Synthesis of PS/PO-chimeric oligonucleotides using mixed oxathiaphospholane and phosphoramidite chemistry.

Org. Biomol. Chem. 13(1) , 269-76, (2014)

Chimeric oligonucleotides containing phosphodiester and phosphorothioate linkages have been obtained using the solid phase synthesis. The oligonucleotide parts possessing natural internucleotide phosp...

Identification of two urinary metabolites of rats treated with acrylonitrile; influence of several inhibitors on the mutagenicity of those urines.

Toxicol. Lett. 7(4-5) , 321-7, (1981)

Urines collected from rats injected with acrylonitrile (ACN) were mutagenic towards Salmonella typhimurium TA1530; this activity was reduced when the animals were pretreated by pyrazole (inhibitor of ...

Orientation of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine at the surface of formamide and hydroxypropionitrile.

Langmuir 26(4) , 2473-6, (2010)

Phospholipids are a main component of cell membranes. Therefore, the experimental investigation of the self-organization of phospholipids is of great interest. Here we present results concerning the o...

 Synonyms

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

MFCD00002826
β-Hydroxypropionitrile
3-Hydroxypropanenitrile
Ethylene cyanohydrin
3-Hydroxypropionitrile
β-Cyanoethanol
EINECS 203-704-8
3-Hydroxypropiononitrile
Glycol cyanohydrin
2-Cyanoethanol,Ethylene cyanohydrin,Hydracrylonitrile
b-Hydroxypropionitrile
3-Hydroxypropanonitril
hydracrylonitrile

 hydracrylonitrile | FAQ

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

Q: What are the upstream materials of 3-Hydroxypropionitrile?
A: Related upstream materials(CAS) of 3-Hydroxypropionitrile: 75-21-8;74-90-8;107-13-1;151-50-8;107-07-3;143-33-9;1656-48-0;72784-43-1.
Q: What is the safety information for 3-Hydroxypropionitrile?
A: Safety information for 3-Hydroxypropionitrile: S26-S36-S24/25.
Q: What is the LogP of 3-Hydroxypropionitrile?
A: LogP of 3-Hydroxypropionitrile is -0.94.
Q: What is the SMILES notation of 3-Hydroxypropionitrile?
A: SMILES notation of 3-Hydroxypropionitrile is N#CCCO.
Q: How is the water solubility of 3-Hydroxypropionitrile?
A: Water solubility of 3-Hydroxypropionitrile: >=10 g/100 mL at 20 ºC.
Q: What is the InChIKey of 3-Hydroxypropionitrile?
A: InChIKey of 3-Hydroxypropionitrile is WSGYTJNNHPZFKR-UHFFFAOYSA-N.
Q: What is the molecular weight of 3-Hydroxypropionitrile?
A: Molecular weight of 3-Hydroxypropionitrile is 71.078.
Q: What is the English name of 3-Hydroxypropionitrile?
A: The English name of 3-Hydroxypropionitrile is 3-Hydroxypropionitrile.
Q: What is the melting point of 3-Hydroxypropionitrile?
A: Melting point of 3-Hydroxypropionitrile is -46 °C.
Q: What is the CAS number of 3-Hydroxypropionitrile?
A: CAS number of 3-Hydroxypropionitrile is 109-78-4.

 hydracrylonitrilefactory

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

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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Chemsrc provides hydracrylonitrile(CAS#:109-78-4) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of hydracrylonitrile are included as well.>> amp version: hydracrylonitrile

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