Cyanoacetamide

HCID 7898CAS 107-91-5

기본 정보

표준 SMILES
N#CCC(N)=O
InChIKey
DGJMPUGMZIKDRO-UHFFFAOYSA-N
분자식
C3H4N2O
평균 분자량
84.08 g/mol
단동위원소 질량
84.03236275

개요

cyanoacetamide has been reported in Apis with data available.

이름 및 식별자

우선 이름
Cyanoacetamide
IUPAC
2-cyanoacetamide
현지명
2-시아노아세트아미드
영어명
2-Cyanoacetamide
분자식
C3H4N2O
분자량
84.08

이름 및 동의어

2-Cyanoacetamide107-91-5CYANOACETAMIDEAcetamide, 2-cyano-CyanacetamideMalonamide nitrileMalonamonitrileNitrilomalonamide3-Nitrilo-propionamideCyanoiminoacetic acidKyanacetamidUSAF KF-14
이름 더 보기
사이아노아세트아마이드2-시아노아세트아마이드2-시아노아세트아미드시아노아세트아미드CYACCyanacetamidCYANOACETIC AMIDE2-CAAusafkf-14
Propionamide nitrileAmid kyseliny kyanoctoveYBK38G2YXHMalonic acid, monoamide mononitrileNSC-6285DTXSID2051552RefChem:129041DTXCID6030104

데이터베이스 식별자

CAS
107-91-5
PubChem CID
7898
DTXSID
DTXSID2051552
ChEMBL
CHEMBL2333142
UNII
YBK38G2YXH
EC Number
203-531-8
Nikkaji
J4.067C

물성

구조 계산 물성

XLogP
-1
극성 표면적
66.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
6

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials PropertiesBoiling point
Color/Form · 3건

NEEDLES FROM ALCOHOL

PLATES (WATER)

WHITE POWDER

Solubility1 G DISSOLVES IN 6.5 ML COLD WATER; 1.3 G @ 0 °C IN 100 ML OF 95% ALCOHOL; 3.1 G @ 26 °C IN 100 ML OF 95% ALCOHOL; 7.0 G @ 44 °C IN 100 ML OF 95% ALCOHOL; 14.0 G @ 62 °C IN 100 ML OF 95% ALCOHOL; 21.5 G @ 71 °C IN 100 ML OF 95% ALCOHOL
Boiling PointBP: DECOMPOSES
Melting Point · 2건

119.5 °C

121.5 °C

물리화학적 성질

녹는점
119 · 119-121 °C(lit.)
끓는 점
154.34 °C · 154.34°C (rough estimate)
밀도
1 · 1,4 g/cm3
굴절률
1.511 · 1.5110 (estimate)
인화점
419 °F · 419 °F
저장 조건
Sealed in dry,Room Temperature

화학적 성질

White or light yellow needle crystal or powder. Slightly soluble in water, easily soluble in ethanol.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (77.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 62 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Acetamide, 2-cyano-

Status: Active Update: 26-05-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/11828

Acetamide, 2-cyano-: Does not have an individual approval but may be used under an appropriate group standard

Fire PotentialSEE CYANIDES. MODERATE, BY CHEMICAL REACTION WITH HEAT, MOISTURE, ACID. /CYANIDES/
Hazards SummaryEmergency treatment: Cyanide; [HSDB] Subcutaneous LD50 (guinea pig) = 1155 mg/kg; Causes tremor and muscle contractions; [RTECS] An irritant; Harmful by ingestion, inhalation, or skin absorption; [Aldrich MSDS] See NITRILES.
Toxic Combustion ProductsSEE CYANIDES. EMIT HYDROCYANIC ACID. /CYANIDES/
Hazard Classes and CategoriesAcute Tox. 4 (77.4%)
Hazardous Reactivities and IncompatibilitiesSEE CYANIDES. ON CONTACT WITH ACID, ACID FUMES, WATER OR STEAM, THEY WILL PRODUCE TOXIC & FLAMMABLE VAPORS. /CYANIDES/

안전 및 보호

Storage Conditions · 1건

SEE CYANIDES. ...MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS...SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER. /CYANIDES/

Preventive MeasuresSEE CYANIDES. VENTILATION CONTROL: THE BASIC VENTILATION METHODS ARE LOCAL & EXHAUST VENTILATION & DILUTION (GENERAL) VENTILATION. /CYANIDES/
Protective Action Criteria (PAC) · 3건

0.81 [mg/m3]

8.7 [mg/m3]

52 [mg/m3]

독성 정보

Treatment · 1건

Antidotes to cyanide poisoning include hydroxocobalamin and sodium nitrite, which release the cyanide from the cytochrome system, and rhodanase, which is an enzyme occurring naturally in mammals that combines serum cyanide with thiosulfate, producing comparatively harmless thiocyanate. Oxygen therapy can also be administered. (L97)

Health Effects · 1건

Exposure to high levels of cyanide for a short time harms the brain and heart and can even cause coma, seizures, apnea, cardiac arrest and death. Chronic inhalation of cyanide causes breathing difficulties, chest pain, vomiting, blood changes, headaches, and enlargement of the thyroid gland. Skin contact with cyanide salts can irritate and produce sores. (L96, L97)

Adverse EffectsOther Poison - Chemical Asphyxiant
Exposure RoutesOral (L96) ; inhalation (L96) ; dermal (L96)
Toxicity Summary · 1건

Organic nitriles decompose into cyanide ions both in vivo and in vitro. Consequently the primary mechanism of toxicity for organic nitriles is their production of toxic cyanide ions or hydrogen cyanide. Cyanide is an inhibitor of cytochrome c oxidase in the fourth complex of the electron transport chain (found in the membrane of the mitochondria of eukaryotic cells). It complexes with the ferric iron atom in this enzyme. The binding of cyanide to this cytochrome prevents transport of electrons from cytochrome c oxidase to oxygen. As a result, the electron transport chain is disrupted and the cell can no longer aerobically produce ATP for energy. Tissues that mainly depend on aerobic respiration, such as the central nervous system and the heart, are particularly affected. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. Cyanide binds to the ferric ion of methemoglobin to form inactive cyanmethemoglobin. (L97)

Signs and SymptomsCyanide poisoning is identified by rapid, deep breathing and shortness of breath, general weakness, giddiness, headaches, vertigo, confusion, convulsions/seizures and eventually loss of consciousness. (L96, L97)

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
AB5950000
ridadr
UN 3439 6.1/PG 3
HS 번호
29269095
risk_code
22-36/37/38-20/21/22

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

Organic nitriles are converted into cyanide ions through the action of cytochrome P450 enzymes in the liver. Cyanide is rapidly absorbed and distributed throughout the body. Cyanide is mainly metabolized into thiocyanate by either rhodanese or 3-mercaptopyruvate sulfur transferase. Cyanide metabolites are excreted in the urine. (L96)

용도 및 제조

Uses · 2건

Used in the synthesis of pharmaceuticals and plastics; [Hawley]

IN ORGANIC SYNTHESES (EG STARTING MATERIAL FOR VITAMIN B6 SYNTHESIS)

Methods of ManufacturingPREPARED BY ACTION OF AQ OR ALCOHOLIC AMMONIA ON CYANOACETIC ESTER: HESSE, AM CHEM J 18, 724 (1896); THOLE, THORPE, J CHEM SOC 99, 429 (1911); OTT, LOPMANN, BER 55, 1258 (1922); CORSON ET AL, ORG SYN COLL VOL I (2ND ED, 1941) P 179.
General Manufacturing InformationAcetamide, 2-cyano-: ACTIVE

응용 분야

일반 설명Cyanoacetamide is the starting reagent for vitamin B6 synthesis. It reacts with reducing carbohydrates in borate buffer to give intense fluorescence andis useful for the automated analysis of carbohydrates as borate complexes.

제조 방법 · 1건

Cyanoacetamide can be prepared from ethyl cyanoacetate and ammonia. Cool the ethyl cyanoacetate to below 200°C, add concentrated ammonia water to react, and the mixture turns from turbid to clear. After cooling in cold water for 20 minutes, a precipitate is precipitated. After filtration and drying, the crude product is obtained, and then the crude product of cyanoacetamide is added. In the boiling ethanol, after dissolving it, add a small amount of activated carbon for decolorization and purification, filter, cool the filtrate to separate out the precipitate, and dry it at 80-100 ℃ to obtain the fine cyanoacetamide.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

추가 설명

정의2-Cyanoacetamide is an acetic amide with a nitrile functional group. It is a codon of glutamine that directs the placement of glutamine into a polypeptide.

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476건

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