12-ブロモドデカン酸

12-Bromododecanoic Acid

HCID 175468

基本情報

CAS
73367-80-3
標準SMILES
O=C(O)CCCCCCCCCCCBr
InChIKey
YYKBWYBUCFHYPR-UHFFFAOYSA-N
分子式
C12H23BrO2
平均分子量
279.21 g/mol
単同位体質量
278.08814

名称と識別子

優先名称
12-Bromododecanoic Acid
IUPAC
12-bromododecanoic acid
現地名
12-ブロモドデカン酸
英語名
12-Bromododecanoic acid
分子式
C12H23BrO2
分子量
279.21

名称と別名

12-Bromododecanoic acid73367-80-312-Bromolauric acidDodecanoic acid, 12-bromo-DTXSID1049354CHEBI:49519RP072ZQ00EDTXCID8029313RefChem:437326277-401-4MFCD0000273812-Brom-dodecansaeure
名称をさらに表示
12-ブロモドデカン酸12-BroMododecanoic acid 97%12-Bromododecanoic acid - [B71783]
12-bromo-dodecanoic acid12-bromo-1-dodecanoic acidEINECS 277-401-4SCHEMBL93186C12-Br 12:0NSC660375DB0240512-Br 12:0

データベース識別子

CAS
73367-80-3
PubChem CID
175468
DTXSID
DTXSID1049354
ChEMBL
CHEMBL1231458
ChEBI
CHEBI:49519
UNII
RP072ZQ00E
EC Number
277-401-4
Nikkaji
J309.285B

物性

構造計算による物性

XLogP
5
極性表面積
37.3 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
11
重原子数
15

物理化学的性質

融点
52 · 52-55 °C (lit.)
沸点
140 · 140-143 °C(Press: 20 Torr)
比重(密度)
1.191 · 1.191±0.06 g/cm3(Predicted)
闪点
230 °F · >230 °F
貯蔵温度
Sealed in dry,Room Temperature
溶解性
50 mg/mL、透明~やや濁り、無色~微黄色 · クロロホルム:可溶50mg/mL、透明~やや濁り、無色~微黄色

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 3 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 1 of 3 reports by companies.;There are 2 notifications provided by 2 of 3 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

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%);Eye Irrit. 2A (66.7%);STOT SE 3 (66.7%)

安全データ

wgk
3
hs_code
2915907098
safety_code
22-24/25
ストレージクラス
11 - Combustible Solids

化学と産業

応用分野

使用12-Bromododecanoic acid ligand was used as a model fatty acid in the elucidation of the x-ray structure of bovine beta-lactoglobulin.

サプライヤー69 社

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

関連反応

20 件

化合物ノート

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