기본 정보
- 표준 SMILES
N#C[O-].[Na+]- InChIKey
ZVCDLGYNFYZZOK-UHFFFAOYSA-M- 분자식
- CNNaO
- 평균 분자량
- 65.007 g/mol
- 단동위원소 질량
- 64.9877579
개요
Sodium cyanate is a cyanate salt and a one-carbon compound.
이름 및 식별자
- 우선 이름
- Sodium Cyanate
- IUPAC
- sodium cyanate
- 현지명
- 시안산염
- 영어명
- Sodium cyanate
- 분자식
- CNNaO
- 분자량
- 66.01
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
917-61-3- PubChem CID
- 517096
- DTXSID
DTXSID2061274- ChEMBL
CHEMBL1644696- ChEBI
CHEBI:38906- UNII
- 8UFS3JRV8P
- EC Number
- 213-030-6
- Nikkaji
- J2.118K
물성
구조 계산 물성
- 극성 표면적
- 46.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 4
- 형식 전하
- 0
- 복잡도
- 34.5
실험 및 물리화학적 성질
Physical Description
Large Crystals
Colorless solid; [Merck Index] Beige powder; [Aldrich MSDS]
물리화학적 성질
- 녹는점
- 550 °C · 550 °C
- 밀도
- 1 · 1,937 g/cm3
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 물(약간 용해됨)
- 물리적 상태
- 결정성 분말 및/덩어리
- 색상
- 흰색에서 밝은 노란색 또는 밝은 베이지색
- 수용성
- 110 g/L · 110g/L(20℃)
- 비열
- 1.33 J/ · Cp(crystal): 1.33 J/(g·K), at 25℃
- Merck
- 14 · 14,8604
- BRN
- 3594963 · 3594963
- 안정성
- 안정적인. 산, 강한 산화제와 호환되지 않습니다.
- InChI
- InChI=1S/CHNO.Na/c2-1-3;/h3H;/q;+1/p-1
- InChIKey
- ZVCDLGYNFYZZOK-UHFFFAOYSA-M
- SMILES
- C([O-])#N.[Na+]
- LogP
- 0.3 at · 0.3 at 20℃
- EPA
- Cyanic acid, sodium salt (917-61-3)
화학적 성질
white powder or crystals
안전 및 규제
GHS 분류
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: Cyanic acid, sodium salt
Cyanic acid, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyanic acid, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 21-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/14588
Sodium cyanate: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Effects on liver (decreased enzyme activity without histopathological changes), blood (increased hematocrit and reticulocytes), male reproductive organs (degeneration of germinal epithelium in the testes), and possible signs of neurotoxicity (reduced activity, impaired coordination, and clonic seizures) observed in 28-day gavage study of rats; Changes in blood interpreted as compensation to increase tissue oxygenation; Following recovery period of six weeks, hematological and neurological effects resolved; High-dose group lowered from 316 to 237 mg/kg/day due to mortality of three animals; [EPA] Causes convulsions in intramuscular LD50 study of rats; Causes degenerative changes to brain and flaccid paralysis without anesthesia in 60-day intramuscular intermittent study of monkeys (2,400 mg/kg); Causes meningeal changes in 60-day subcutaneous intermittent study of monkeys (1,500 mg/kg); Causes flaccid paralysis, somnolence, and other changes to the liver in 3-day oral intermittent study of guinea pigs; (300 mg/kg); Causes abnormal liver function tests in 26-week study of rats at >182 mg/kg; [RTECS] May cause irritation; Harmful by ingestion; [Aldrich MSDS] See Potassium cyanate and Silver cyanate.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute toxicity (Oral) - Category 4
Acute Tox. 4 *
독성 정보
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- GS7000000
- 독성
- LD50 i.p. in mice: 260 mg/kg (Cerami)
- HS 번호
- 28380000
- risk_code
- 22-52/53
- hazard_code
- Xn
- safety_code
- 24/25-61
- 기존화학 물질
- KE-31400
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Uses
Used in experimental treatment of sickle cell anemia; [Merck Index] Used as an intermediate in organic synthesis; [EPA] Used in heat treatment of steel; [Hawley]
Heat Treating [Category: Heat or Machine]
General Manufacturing Information
Fabricated Metal Product Manufacturing
Cyanic acid, sodium salt (1:1): ACTIVE
응용 분야
용도Sodium Cyanate is used in biological study as tumor cell proliferation and metabolism inhibition.
상·하류 제품 정보
상류 원료
하류 제품
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