2,5-ジメトキシベンゾニトリル

2,5-Dimethoxybenzonitrile

HCID 79200

基本情報

CAS
5312-97-0
標準SMILES
COc1ccc(OC)c(C#N)c1
InChIKey
HWAMEJIMXIXLIH-UHFFFAOYSA-N
分子式
C9H9NO2
平均分子量
163.17 g/mol
単同位体質量
163.06332853

名称と識別子

優先名称
2,5-Dimethoxybenzonitrile
IUPAC
2,5-dimethoxybenzonitrile
現地名
2,5-ジメトキシベンゾニトリル
英語名
2,5-Dimethoxybenzonitrile
分子式
C9H9NO2
分子量
163.17

名称と別名

2,5-Dimethoxybenzonitrile5312-97-0Benzonitrile, 2,5-dimethoxy-EINECS 226-169-2DTXSID70201209NSC 27019RefChem:82913DTXCID20123700226-169-2HWAMEJIMXIXLIH-UHFFFAOYSA-NMFCD000163754Z9ABJ2RLU
名称をさらに表示
2,5-ジメトキシベンゾニトリル2,5-DIMETHOXYBENZONI2,5-Dimethoxybenzonitrile>2-cyanohydroquinone dimethyl ether
NSC-270192,5-dimethoxybenzenecarbonitrileNSC2701925-DimethoxybenzonitrileUNII-4Z9ABJ2RLU2-cyano-1,4-dimethoxybenzeneSCHEMBL1762094SCHEMBL30730992

データベース識別子

CAS
5312-97-0
PubChem CID
79200
DTXSID
DTXSID70201209
UNII
4Z9ABJ2RLU
EC Number
226-169-2
Nikkaji
J297.995K

物性

構造計算による物性

XLogP
1.8
極性表面積
42.3 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
2
重原子数
12

物理化学的性質

融点
81 · 81-85 °C (lit.)
沸点
288.8 · 288.8±25.0 °C(Predicted)
比重(密度)
1.12 · 1.12±0.1 g/cm3(Predicted)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
soluble in Methanol
外見
powder to crystal

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (11.1%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (11.1%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 45 reports by companies from 5 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 (11.1%);Acute Tox. 4 (11.1%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);Acute Tox. 4 (11.1%);STOT SE 3 (97.8%)

安全データ

wgk
3
ridadr
3276
hs_code
29269090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36/37

化学と産業

サプライヤー72 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

関連反応

6 件

化合物ノート

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