2-イソシアナト-5-メチルチオフェン

2-Isocyanato-5-methylthiophene

HCID 11629619CAS 76536-99-7

基本情報

標準SMILES
Cc1ccc(N=C=O)s1
InChIKey
TYOUGUHTXIYXLR-UHFFFAOYSA-N
分子式
C6H5NOS
平均分子量
139.18 g/mol
単同位体質量
139.00918496

名称と識別子

優先名称
2-Isocyanato-5-methylthiophene
IUPAC
2-isocyanato-5-methylthiophene
現地名
2-イソシアナト-5-メチルチオフェン
英語名
5-Methyl-thiphene-2-isocyanate
分子式
C6H5NOS
分子量
139.18

名称と別名

2-isocyanato-5-methylthiophene76536-99-7DTXSID80469676RefChem:262301DTXCID304204945-Methylthien-2-yl isocyanate5-Methyl-thiophene-2-isocyanateThiophene,2-isocyanato-5-methyl-MFCD098175472-isocyanato-5-methyl-thiophene5-methylthiophen-2-isocyanateSCHEMBL666729
名称をさらに表示
2-イソシアナト-5-メチルチオフェン5-Methyl-thiphene-2-isocyanate5-methyl-2-thiophene isocyanate5-Methylthien-2-ylisocyanate97%Thiophene, 2-isocyanato-5-methyl-5-Methylthien-2-yl isocyanate 97%
5-methyl-2-thienyl isocyanateTYOUGUHTXIYXLR-UHFFFAOYSA-NBDA53699SBB086099AKOS000171617PS-10314DB-075143EN300-94843

データベース識別子

CAS
76536-99-7
PubChem CID
11629619
DTXSID
DTXSID80469676
EC Number
880-181-8

物性

構造計算による物性

XLogP
3.1
極性表面積
57.7 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
1
重原子数
9

物理化学的性質

外見
液体
CAS データベース
76536 · 76536-99-7

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation];H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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 CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Skin Sens. 1 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (100%);Resp. Sens. 1 (100%);STOT SE 3 (100%)

安全データ

hs_code
2929100090

化学と産業

応用分野

使用5-Methyl-thiphene-2-isocyanate is used in the preparation of p38 kinase inhibitors.

サプライヤー3 社

安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

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