二硝酸カルシウム·4水和物

Calcium nitrate tetrahydrate

HCID 16211656CAS 13477-34-4

部分構造検索類似構造を探す

基本情報

標準SMILES: O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ca+2]
InChIKey: ICSSIKVYVJQJND-UHFFFAOYSA-N
分子式: CaH8N2O10
平均分子量: 236.15 g/mol
単同位体質量: 235.9804853

名称と識別子

優先名称: Calcium nitrate tetrahydrate
IUPAC: calcium;dinitrate;tetrahydrate
現地名: 二硝酸カルシウム·4水和物
英語名: Calcium nitrate tetrahydrate
分子式: CaH5NO4
分子量: 123.12

名称と別名

Calcium nitrate tetrahydrate13477-34-4Calcium dinitrate tetrahydrateNitric acid, calcium salt, tetrahydrateO8T8H4NBBRCHEBI:86159DTXSID201016307CALCIUM(II) NITRATE, TETRAHYDRATE (1:2:4)RefChem:122873DTXCID801474468603-865-8Dusicnan vapenaty

名称をさらに表示

硝酸カルシウム·4水和物二硝酸カルシウム·4水和物β-カルシウムニトラート四水和物α-カルシウムニトラート四水和物ニトロカルサイト硝酸カルシウム四水和物硝酸カルシウム四水和物,3N硝酸カルシウム,4水和物硝酸カルシウム四水和物 ≥99.0%硝酸カルシウム四水和物 PURISS. P.A.,ACS REAGENT,99-103%硝酸カルシウム四水和物, 99.9%硝酸カルシウム四水和物硝酸カルシウム四水和物, 99%硝酸カルシウム四水和物, 99.98% (metals basis)二硝酸カルシウム・4水和物CALCIUM NITRATE, TETRAHYDRATE BIO-REFINEDCA NITRATELime nitratedusicnanvapenatyACS reagent, 99%CalciumNitrateA.R.CalciumNitrate,>98%CALCIUM NITRATE XTLCALCIUM NITRATE 4H2OCALCIUM NITRATE, ACS

calcium;dinitrate;tetrahydrateMFCD00149604Ca(NO3)2.4H2O39368-85-9Calcium Dinitrate Tetrahydrate; Calcium Nitrate (Ca(NO3)2) Tetrahydrate; Calcium Nitrate Tetrahydrate; Nitric Acid Calcium Salt (2:1) Tetrahydrate;CaH8N2O10SCHEMBL73607Calcium Nitrate tetra hydrate

データベース識別子

CAS: 13477-34-4
PubChem CID: 16211656
DTXSID: DTXSID201016307
ChEBI: CHEBI:86159
UNII: O8T8H4NBBR
EC Number: 603-865-8

物性

構造計算による物性

極性表面積: 130 Å²
水素結合供与体数: 4
水素結合受容体数: 10
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 18

実験および物理化学的性質

Density2.36 @25 °C

Melting Point43 °C

Physical Description · 2 件

Dry Powder; Liquid; CBI

Colorless hygroscopic crystals; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 44 °C · 44 °C (dec.)(lit.)
沸点: 132 °C · 132 °C
比重(密度): 1.86 · 1.86
闪点: 132 °C · 132°C
貯蔵温度: Store at RT.
溶解性: 2 O: · H2O: 1M at20℃、透明、無色
外見: 個体
色: 白い
比重: 1.86 · 1.86
PH: 5 · 5.0-7.0 (50g/l, H2O, 25℃)
水溶解度: 1470 g/L · 1470g/L（0℃）
Merck: 14 · 14,1682
安定性: 安定。強力な酸化剤。
InChI: 1S/Ca.2NO3.4H2O/c;2*2-1(3)4;;;;/h;;;4*1H2/q+2;2*-1;;;;
InChIKey: ICSSIKVYVJQJND-UHFFFAOYSA-N
SMILES: O.O.O.O.[Ca++].[O-][N+]([O-])=O.[O-][N+]([O-])=O
CAS データベース: 13477 · 13477-34-4(CAS DataBase Reference)
EPAの化学物質情報: Calcium nitrate tetrahydrate (13477-34-4)

化学的性質

化学的特性White colourless deliquescent crystals

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.3% (1 of 364) of reports.

Danger

H272 (57.7%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]；H302 (47%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (47%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H371 (42.9%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]；H373 (42.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P210, P220, P260, P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P308+P316, P317, P319, P330, P370+P378, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 364 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 364 reports by companies.；There are 11 notifications provided by 363 of 364 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 3 件

Chemical: Nitric acid, calcium salt, tetrahydrate

Nitric acid, calcium salt, tetrahydrate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Nitric acid, calcium salt, tetrahydrate 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)

Calcium nitrate, tetrahydrate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Nitric acid, calcium salt, tetrahydrate: Human health tier I assessment；IMAP assessments - Nitric acid, calcium salt, tetrahydrate: Environment tier I assessment

Hazards SummaryA mild skin and eye irritant; [RTECS] An eye and mild skin irritant; An oxidizer that may intensify fire; Targets the blood and CNS; [Sigma-Aldrich MSDS] See Calcium nitrate.

Hazard Classes and CategoriesOx. Sol. 2 (57.7%)；Acute Tox. 4 (47%)；Eye Dam. 1 (47%)；STOT SE 2 (42.9%)；STOT RE 2 (42.9%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

12 [mg/m3]

130 [mg/m3]

770 [mg/m3]

毒性情報

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

法規制情報

Regulatory Information · 3 件

Chemical: Nitric acid, calcium salt, tetrahydrate

Calcium nitrate, tetrahydrate: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 1
tsca: Yes
rtecs: EW3000000
ridadr: UN 1454 5.1/PG 3
毒性: LD50 orally in Rabbit: 3900 mg/kg
hs_code: 28342980
risk_code: 8-36-36/37/38-41-22
hazard_code: O,Xi,Xn
safety_code: 17-26-36/37/39-39-36
hazard_class: 5.1
packing_group: III
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
ストレージクラス: 13 - Non Combustible Solids

化学と産業

用途と製造

U.S. Production2023: 100,000,000 - <500,000,000 lb；2022: 100,000,000 - <500,000,000 lb；2021: 100,000,000 - <500,000,000 lb；2020: 100,000,000 - <500,000,000 lb

Consumer UsesSealant (barrier)；Other；Not Known or Reasonably Ascertainable；Soil amendments (fertilizers)

Industry UsesNot Known or Reasonably Ascertainable；Soil amendments (fertilizers)；Sealant (barrier)；Other

General Manufacturing InformationAgriculture, Forestry, Fishing and Hunting；Not Known or Reasonably Ascertainable；Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing；Printing and Related Support Activities；Paint and Coating Manufacturing

応用分野 · 4 件

用途肥料硝酸塩の製造原料、染色加工剤

用途高純度金属化合物。

用途肥料、染色及び防食材研究用。

使用Calcium nitrate tetrahydrate is used in the preparation of calcium standard solutions.

調製方法 · 1 件

純化方法Crystallise the nitrate four times from water (0.4mL/g) by cooling in a CaCl2-ice freezing mixture. The tetrahydrate is dried over conc H2SO4 and stored over P2O5, to give the anhydrous salt. It is deliquescent. After 3 recrystallisations of ACS grade salt, it had Co, Fe, Mg, Sr and Zn at 0.2, 1. 0, 0.02, 10 and 0.02 ppm resp. [Bassett & Taylor J Chem Soc 105 1926 1914.]