4-クロロ-N-メチルベンゼンメタンアミン

Benzenemethanamine, 4-chloro-N-methyl-

HCID 66905
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基本情報

CAS
104-11-0
標準SMILES
CNCc1ccc(Cl)cc1
InChIKey
LMBUJNXYGGNSAH-UHFFFAOYSA-N
分子式
C8H10ClN
平均分子量
155.62 g/mol
単同位体質量
155.050177

名称と識別子

優先名称
Benzenemethanamine, 4-chloro-N-methyl-
IUPAC
1-(4-chlorophenyl)-N-methylmethanamine
現地名
4-クロロ-N-メチルベンゼンメタンアミン
英語名
(4-Chloro-benzyl)-methyl-amine
分子式
C8H10ClN
分子量
155.62

名称と別名

104-11-0Benzenemethanamine, 4-chloro-N-methyl-4-ChlorobenzylmethylamineEINECS 203-175-3DTXSID0059291RefChem:563291DTXCID8032839203-175-31-(4-chlorophenyl)-N-methylmethanamineN-Methyl-4-chlorobenzylamineN-(4-chlorobenzyl)-N-methylamine(4-Chloro-benzyl)-methyl-amine
名称をさらに表示
4-クロロ-N-メチルベンゼンメタンアミンN-メチル-4-クロロベンジルアミン4-クロロ-N-メチルベンジルアミン(4-クロロベンジル)メチルアミンN-(4-クロロベンジル)-N-メチルアミンN-メチル-4-クロロベンゼンメタンアミン[(4-クロロフェニル)メチル](メチル)アミンAKOS BC-2745TIMTEC-BB SBB010371(4-CHLORO-BENZYL)-MEN-METHYL-P-CHLOROBENZYLAMINE-(4-CHLOROBENZYL)-N-METHYLAMINE
4-Chloro-N-methylbenzylamine(4-Chlorobenzyl)methylamine[(4-chlorophenyl)methyl](methyl)amineMFCD00018749p-chloro-n-methylbenzylamine1-(4-chlorophenyl)-N-methyl-methanamineEN300-07492[(4-chlorophenyl)methyl]methylamine

データベース識別子

CAS
104-11-0
PubChem CID
66905
DTXSID
DTXSID0059291
ChEMBL
CHEMBL1178166
ChEBI
CHEBI:194996
EC Number
203-175-3
Nikkaji
J182.177F

物性

構造計算による物性

XLogP
2.2
極性表面積
12 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
2
重原子数
10

実験および物理化学的性質

Kovats Retention Index1215.1

物理化学的性質

沸点
77 °C · 77 °C
比重(密度)
1.088 · 1.088±0.06 g/cm3(Predicted)
屈折率
1.538 to · 1.5380 to 1.5420
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature
外見
clear liquid
酸解離定数(Pka)
9.5 · 9.50±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, 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.；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 (33.3%)；Skin Corr. 1B (66.7%)；Skin Irrit. 2 (33.3%)；Eye Dam. 1 (66.7%)；STOT SE 3 (33.3%)

安全データ

tsca
TSCA listed
ridadr
2735
hs_code
2921490090
risk_code
22-34-52-41-37/38
消防法
危-4-3-III
hazard_code
Xi,C,Xn

化学と産業

用途と製造

General Manufacturing InformationBenzenemethanamine, 4-chloro-N-methyl-: INACTIVE

上流・下流製品情報

サプライヤー98 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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