Benzenemethanamine, 3-chloro- (HCID 77802)

Names & identifiers

Preferred name: Benzenemethanamine, 3-chloro-
IUPAC: (3-chlorophenyl)methanamine
English name: 3-Chlorobenzylamine
Molecular formula: C7H8ClN
Molecular weight: 141.6

Names & synonyms

3-Chlorobenzylamine4152-90-31-(3-chlorophenyl)methanamineBenzenemethanamine, 3-chloro-EINECS 223-985-0DTXSID4063323RefChem:563270DTXCID9039941223-985-0InChI=1/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H(3-Chlorophenyl)methanaminem-Chlorobenzylamine

Show more names

TIMTEC-BB SBB004155RARECHEM AL BW 00193-Chlorobenzylamine 97%3-Chlorobenzylamine,98%3-Chlorobenzylamine >3-Chlorobenzylamine, 97+%3-chloro-benzenemethanamin

3-chlorobenzyl amine3-Chloro-benzylamineMFCD00040752CHEMBL12957m-chlorobenzyl amine3-chloro benzylamine3-chloro benzyl amine3-chloro-benzyl amine

Database identifiers

CAS: 4152-90-3
PubChem CID: 77802
DTXSID: DTXSID4063323
ChEMBL: CHEMBL12957
EC Number: 223-985-0
Nikkaji: J208.256J

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 85

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point: 97 · 97-98 °C
Boiling point: 110 · 110-112 °C/17 mmHg (lit.)
Density: 1.159 g/mL · 1.159 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.559(lit.)
Flash point: 209 °F · 209 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 8.77 · 8.77±0.10(Predicted)
form: Liquid
Specific Gravity: 1.159 · 1.159
color: Clear colorless to faint yellow
Sensitive: Air Sensitive
BRN: 774509 · 774509
InChI: 1S/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
InChIKey: BJFPYGGTDAYECS-UHFFFAOYSA-N
SMILES: NCc1cccc(Cl)c1
CAS DataBase Reference: 4152 · 4152-90-3(CAS DataBase Reference)
NIST Chemistry Reference: 3 · Benzenemethanamine, 3-chloro-(4152-90-3)
EPA Substance Registry System: 3 · Benzenemethanamine, 3-chloro- (4152-90-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C,Xi
Risk Statements: 34 · 34-20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39-45-36
RIDADR: 2735 · UN 2735 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29214990 · 29214990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1B
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

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 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

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

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 2
hs_code: 29214990
risk_code: 34-20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-36/37/39-45-36
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenemethanamine, 3-chloro-: INACTIVE

Applications

Uses3-Chlorobenzylamine is used as pharmaceutical, pesticide and dye intermediates. It is used in the synthesis of 3-Chlorobenzamide and N-(3-Chlorobenzyl)-4-(2-indolyl)-2-pyrimidinamine.

General Description3-Chlorobenzylamine undergoes reductive amination during dihydroquinolone synthesis. It is used in the synthesis of N- (3-chlorobenzyl) toluene-p-sulphonamide.

Upstream & downstream products

Upstream raw materials

Downstream products

3-Chlorobenzyl alcohol 3-Phenylbenzylamine 5-Chloro-N-(3-chlorobenzyl)pyrazine-2-carboxaMide 3-Chlorobenzyl isothiocyanate

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]

南京凯美西化工有限公司02558748998 18951874644 · [email protected]

山东普创医药科技有限公司18953403321 · [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

164 records

New reaction record

HRID 51950As reactantuspto-grants-2004_03

HRID 83613As reactantuspto-grants-2014_09

HRID 90830As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 91473As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 96171As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 98102As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 98465As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 104385As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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Basic information