Benzenemethanamine, 3,4-dichloro-

HCID 1608CAS 102-49-8
Substructure searchFind similar structures

Basic information

Standard SMILES
NCc1ccc(Cl)c(Cl)c1
InChIKey
IXHNFOOSLAWRBQ-UHFFFAOYSA-N
Molecular formula
C7H7Cl2N
Average molar mass
176.04 g/mol
Monoisotopic mass
174.99555458

Names & identifiers

Preferred name
Benzenemethanamine, 3,4-dichloro-
IUPAC
(3,4-dichlorophenyl)methanamine
English name
3,4-Dichlorobenzylamine
Molecular formula
C7H7Cl2N
Molecular weight
176.04

Names & synonyms

3,4-DichlorobenzylamineBenzenemethanamine, 3,4-dichloro-Benzylamine, 3,4-dichloro-EINECS 203-035-1NSC 25065RefChem:563259Benzylamine, 3,4-dichloro-(8CI)203-035-1102-49-8(3,4-Dichlorophenyl)methanamine1-(3,4-dichlorophenyl)methanamineMFCD00008114
Show more names
RARECHEM AL BW 03523,4-DichlorobenzylamOlanexidine Impurity 93,4-Dichlorobenzylamine>benzylamine, 3,4-dichloro-3,4-DICHLOROBENZYLAMINE 98%3,4-Dichlorobenzylamine,98%3,4-dichloro-benzenemethanamin
3,4-Dichloro-benzylamine(3,4-dichlorophenyl)methylamine(3,4-Dichlorophenyl)methanamine;(3,4-Dichlorophenyl)methanamine3,4-dichlorobenzenemethanamineNSC250653,4-dichlorobezylamine3,4 dichlorobenzylamine3,4 dichloro-benzylamine

Database identifiers

CAS
102-49-8
PubChem CID
1608
DTXSID
DTXSID9059254
ChEMBL
CHEMBL276152
EC Number
203-035-1
Nikkaji
J149.837A

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point
332 · 332-333 °C(Solv: N,N-dimethylformamide (68-12-2))
Boiling point
80 · 80-82 °C (0.6 mmHg)
Density
1.32 g/mL · 1.32 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.578(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1C (100%)

Safety data

PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 2735 8/PG 3
hs_code
29214990
risk_code
34

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenemethanamine, 3,4-dichloro-: ACTIVE
Applications · 1 item

Uses3,4-Dichlorobenzylamine is a benzylamine compound. Benzylamines are a class of small-molecule compounds with simple structures, widely present in the biological world, with extremely important physiological and pharmacological activities, and are widely used in the research and development of antibacterial drugs. For example, the antifungal drugs terbinafine and butenafine all have the structure of benzylamine.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Related reactions

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Linked notes

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