クミルロン

Cumyluron

HCID 11709249

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 99485-76-4
標準SMILES: CC(C)(NC(=O)NCc1ccccc1Cl)c1ccccc1
InChIKey: VYNOULHXXDFBLU-UHFFFAOYSA-N
分子式: C17H19ClN2O
平均分子量: 302.8 g/mol
単同位体質量: 302.1185909

名称と識別子

優先名称: Cumyluron
IUPAC: 1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea
現地名: クミルロン
英語名: CUMYLURON
分子式: C17H19ClN2O
分子量: 302.8

名称と別名

Cumyluron99485-76-4Cumyluron [ISO]1-(2-chlorobenzyl)-3-(1-methyl-1-phenylethyl)ureaUNII-82H75W2NPD82H75W2NPDDTXSID7052862N-((2-CHLOROPHENYL)METHYL)-N'-(1-METHYL-1-PHENYLETHYL)UREARefChem:128792DTXCID4031273619-438-41-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea

名称をさらに表示

クミルロン標準品クミルロン標準液クミルロン１-（２-クロロベンジル）-３-（１-メチル-１-フェニルエチル）ウレア（クミルロン）1-(2-クロロベンジル)-3-(1-メチル-1-フェニルエチル)ウレア (別名クミルロン)クミルロン標準物質クミルロン, 100 µg/mL in Acetonitrile3-[(2-クロロフェニル)メチル]-1-(2-フェニルプロパン-2-イル)尿素マックワン1-(2-クロロベンジル)-3-(1-メチル-1-フェニルエチル)尿素1-(2-クロロベンジル)-3-(α,α-ジメチルベンジル)尿素ガミーラN-(2-クロロベンジル)-N′-(α,α-ジメチルベンジル)尿素C-940IC 940JC 940DibenzyluronCUMYLURON STANDARDC11775000 CumyluronCumyluron 10.0 μg/ml AcetonitrileCumyluron@100 μg/mL in Acetonitrile

cu-myluronSCHEMBL118815SCHEMBL29414021CHEBI:81738MSK22466UREA,N-[(2-CHLOROPHENYL)METHYL]-N'-(1-METHYL-1-PHENYLETHYL)-AS-88626NS00001707

データベース識別子

CAS: 99485-76-4
PubChem CID: 11709249
DTXSID: DTXSID7052862
ChEBI: CHEBI:81738
UNII: 82H75W2NPD
EC Number: 619-438-4
Nikkaji: J1.535.292B

物性

構造計算による物性

XLogP: 3.6
極性表面積: 41.1 Å²
水素結合供与体数: 2
水素結合受容体数: 1
回転可能結合数: 4
重原子数: 21
形式電荷: 0
複雑度: 340

物理化学的性質

融点: 167.9 ℃165~170℃approximate · 167.9℃165~170℃approximate 173℃
沸点: 503 · 503.0±43.0 °C(Predicted)
比重(密度): 1.164 · 1.164
貯蔵温度: 0 · 0-6°C
酸解離定数(Pka): 13.33 · 13.33±0.46(Predicted)
Henry's Law Constant: 2.5 · 2.5×106 mol/(m3Pa) at 25℃, Ebert et al. (2023)
EPAの化学物質情報: Urea, N-[(2-chlorophenyl)methyl]-N'-(1-methyl-1-phenylethyl)- (99485-76-4)

安全と法規制

GHS分類

GHS Classification · 6 件

H412 (97.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]；H320: Causes eye irritation [Warning Serious eye damage/eye irritation]；H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]；H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

危険有害性情報

Hazard Classes and Categories · 2 件

Aquatic Chronic 3 (97.5%)

Acute toxicity (Oral) - Category 4；Serious eye damage/eye irritation - Category 2B；Specific target organ toxicity - Repeated exposure - Category 1 (liver), Category 2 (blood system, kidney)

安全データ

PRTR法: 第1種指定化学物質
risk_code: 52/53
safety_code: 61

化学と産業

サプライヤー27 社

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

化合物ノート

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