基本情報
- CAS
917-61-3- 標準SMILES
N#C[O-].[Na+]- InChIKey
ZVCDLGYNFYZZOK-UHFFFAOYSA-M- 分子式
- CNNaO
- 平均分子量
- 65.007 g/mol
- 単同位体質量
- 64.9877579
概要
Sodium cyanate is a cyanate salt and a one-carbon compound.
名称と識別子
- 優先名称
- Sodium Cyanate
- IUPAC
- sodium cyanate
- 現地名
- シアン酸ナトリウム
- 英語名
- Sodium cyanate
- 分子式
- CNNaO
- 分子量
- 66.01
名称と別名
名称をさらに表示
データベース識別子
- CAS
917-61-3- PubChem CID
- 517096
- DTXSID
DTXSID2061274- ChEMBL
CHEMBL1644696- ChEBI
CHEBI:38906- UNII
- 8UFS3JRV8P
- EC Number
- 213-030-6
- Nikkaji
- J2.118K
物性
構造計算による物性
- 極性表面積
- 46.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 4
- 形式電荷
- 0
- 複雑度
- 34.5
実験および物理化学的性質
Physical Description
Large Crystals
Colorless solid; [Merck Index] Beige powder; [Aldrich MSDS]
物理化学的性質
- 融点
- 550 °C · 550 °C
- 比重(密度)
- 1 · 1,937 g/cm3
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- 水(少々)
- 外見
- 結晶性粉末および/チャンク
- 色
- ホワイトからライトイエローまたはライトベージュ
- 水溶解度
- 110 g/L · 110g/L(20℃)
- 比熱容量
- 1.33 J/ · Cp(crystal): 1.33 J/(g·K), at 25℃
- Merck
- 14 · 14,8604
- BRN
- 3594963 · 3594963
- 安定性
- 安定。酸、強力な酸化剤と相容れない。
- 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℃
- CAS データベース
- 917 · 917-61-3(CAS DataBase Reference)
- EPAの化学物質情報
- Cyanic acid, sodium salt (917-61-3)
化学的性質
化学的特性white powder or crystals
安全と法規制
GHS分類
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)
危険有害性情報
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 *
毒性情報
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- GS7000000
- 毒性
- LD50 i.p. in mice: 260 mg/kg (Cerami)
- hs_code
- 28380000
- risk_code
- 22-52/53
- hazard_code
- Xn
- safety_code
- 24/25-61
- 毒劇物取締法
- III
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
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
応用分野
用途有機合成原料や鋼の窒化処理、除草剤として使用される。日本では1957年3月30日に農薬登録を受け、「シアノット」「シアノン」などの商品名で販売されている。畑や林、果樹園、非農耕地の一年生雑草に茎葉に接触して枯らす。
使用Sodium Cyanate is used in biological study as tumor cell proliferation and metabolism inhibition.
調製方法
純化方法It forms colourless needles from EtOH. Its solubility in EtOH is 0.22g/100g at 0oC. It is soluble in H2O but can be recrystallised from small volumes of it.
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