Benzenemethanamine, 4-chloro-N-methyl-

HCID 66905
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Basic information

CAS
104-11-0
Standard SMILES
CNCc1ccc(Cl)cc1
InChIKey
LMBUJNXYGGNSAH-UHFFFAOYSA-N
Molecular formula
C8H10ClN
Average molar mass
155.62 g/mol
Monoisotopic mass
155.050177

Names & identifiers

Preferred name
Benzenemethanamine, 4-chloro-N-methyl-
IUPAC
1-(4-chlorophenyl)-N-methylmethanamine
English name
(4-Chloro-benzyl)-methyl-amine
Molecular formula
C8H10ClN
Molecular weight
155.62

Names & synonyms

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
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
10

Experimental & physicochemical properties

Kovats Retention Index1215.1

Physicochemical properties

Boiling point
77 °C · 77 °C
Density
1.088 · 1.088±0.06 g/cm3(Predicted)
refractive index
1.538 to · 1.5380 to 1.5420
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
form
clear liquid
pka
9.5 · 9.50±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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%)

Safety data

tsca
TSCA listed
ridadr
2735
hs_code
2921490090
risk_code
22-34-52-41-37/38
Signal word
Danger
Symbol(GHS)
GHS05

Chemistry & industry

Uses & manufacturing

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

Upstream & downstream products

Suppliers98 total

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]

Additional notes

DefinitionChEBI: N-(4-chlorobenzyl)-N-methylamine is an aromatic amine.

Related reactions

17 records
New reaction record

Compound notes

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