Benzenemethanamine, 3-chloro-N-methyl-

HCID 122721CAS 39191-07-6
Substructure searchFind similar structures

Basic information

Standard SMILES
CNCc1cccc(Cl)c1
InChIKey
ZPNLAQVYPIAHTO-UHFFFAOYSA-N
Molecular formula
C8H10ClN
Average molar mass
155.62 g/mol
Monoisotopic mass
155.050177

Names & identifiers

Preferred name
Benzenemethanamine, 3-chloro-N-methyl-
IUPAC
1-(3-chlorophenyl)-N-methylmethanamine
English name
3-Chloro-N-methylbenzylamine
Molecular formula
C8H10ClN
Molecular weight
155.62

Names & synonyms

3-Chloro-N-methylbenzylamine1-(3-chlorophenyl)-N-methylmethanamineBenzenemethanamine, 3-chloro-N-methyl-N-(3-Chlorobenzyl)-N-methylaminen-methyl-3-chlorobenzylamine[(3-chlorophenyl)methyl](methyl)amineJE3Q5ZMA9Z3-Chloro-N-methylbenzenemethanamineEINECS 254-343-8(3-chlorobenzyl)methylamineDTXSID40681633-CHLOROBENZYL-N-METHYLAMINE
Show more names
3-Chloro-NN-methylbenzylamine
((3-CHLOROPHENYL)METHYL)(METHYL)AMINERefChem:117599DTXCID403960339191-07-6MFCD000451941-(3-chlorophenyl)-N-methyl-methanamineN-Methyl-m-chlorobenzylamineJFJ

Database identifiers

CAS
39191-07-6
PubChem CID
122721
DTXSID
DTXSID4068163
ChEMBL
CHEMBL1178161
UNII
JE3Q5ZMA9Z
EC Number
254-343-8
Nikkaji
J261.331J

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

Physicochemical properties

Boiling point
97 °C/0.6 · 97 °C/0.6 mmHg (lit.)
Density
1.072 g/mL · 1.072 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.5395(lit.)
Flash point
115 °F · 115 °F
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
pka
9.34 · 9.34±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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 CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
2
tsca
TSCA listed
ridadr
UN 1993 3/PG 1
hs_code
29214990
risk_code
10-22-38-41

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenemethanamine, 3-chloro-N-methyl-: INACTIVE

Upstream & downstream products

Downstream products

Suppliers50 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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