フェニルグアニジン炭酸塩

Carbonic acid, compound with phenylguanidine (1:1)

HCID 16217093

基本情報

CAS
14018-90-7
標準SMILES
NC(N)=Nc1ccccc1.O=C(O)O
InChIKey
XDSYAIICRRZSJX-UHFFFAOYSA-N
分子式
C8H11N3O3
平均分子量
197.19 g/mol
単同位体質量
197.08004122

名称と識別子

優先名称
Carbonic acid, compound with phenylguanidine (1:1)
IUPAC
carbonic acid;2-phenylguanidine
現地名
フェニルグアニジン炭酸塩
英語名
Phenylguanidine carbonate salt
分子式
C7H9N3.(H2CO3)x
分子量
135.17

名称と別名

6685-76-3Carbonic acid, compound with phenylguanidine (1:1)EINECS 229-729-4DTXSID70216974RefChem:123598DTXCID00139465229-729-41-Phenylguanidine carbonate14018-90-7Phenylguanidine carbonate salt1-Phenylguanidine xcarbonateMFCD03427114
名称をさらに表示
フェニルグアニジン炭酸塩GUANIDINE,PHENYL CARBONATE9-Phenylguanidine carbonatePhenylguanidineCarbonateSalPhenylguanidine carbote salt1-PHENYLGUANIDINE, Carbonate saltPhenylguanidine carbonate salt, 98%+
Phenylguanidinecarbonatecarbonic acid;2-phenylguanidineN-phenylguanidine; carbonic acidPhenylguanidinehydrogencarbonatephenylguanidine hydrogen carbonateCS-W015676SY059286Phenyl guanidine carbonate

データベース識別子

CAS
14018-90-7、6291-89-0、6685-76-3
PubChem CID
16217093
DTXSID
DTXSID70216974
EC Number
229-729-4、604-176-5

物性

構造計算による物性

極性表面積
122 Ų
水素結合供与体数
4
水素結合受容体数
4
回転可能結合数
1
重原子数
14

物理化学的性質

融点
149 · 149-153 °C(lit.)
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature
溶解性
水性ベース(わずかに、超音波処理)
外見
個体
色
オフホワイト
InChI
1S/C7H9N3.CH2O3/c8-7(9)10-6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H4,8,9,10);(H2,2,3,4)

化学的性質

化学的特性White crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 80% (8 of 10) of all reports.

Danger

H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (10%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (10%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (10%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (10%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (10%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (10%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 8 of 10 reports by companies.;There are 2 notifications provided by 2 of 10 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 InformationStatus: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25525
Hazard Classes and CategoriesAcute Tox. 4 (10%);Skin Irrit. 2 (10%);Skin Sens. 1 (10%);Eye Dam. 1 (10%);Eye Irrit. 2A (10%);STOT SE 3 (10%);Aquatic Chronic 2 (10%)

法規制情報

Regulatory InformationStatus: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25525

安全データ

wgk
3
ストレージクラス
11 - Combustible Solids

化学と産業

応用分野

使用Phenylguanidine Carbonate Salt is a reagent used in the preparation of selective polo-like kinase 1 inhibitors. It also functions as a reagent in the synthesis of monosubstituted guanidines.

サプライヤー17 社

湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]

関連反応

19 件

化合物ノート

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