4-(Benzylamino)phenol

HCID 7637
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Basic information

CAS
103-14-0
Standard SMILES
Oc1ccc(NCc2ccccc2)cc1
InChIKey
SRYYOKKLTBRLHT-UHFFFAOYSA-N
Molecular formula
C13H13NO
Average molar mass
199.25 g/mol
Monoisotopic mass
199.09971404

Names & identifiers

Preferred name
4-(Benzylamino)phenol
IUPAC
4-(benzylamino)phenol
English name
4-(BENZYLAMINO)PHENOL
Molecular formula
C13H13NO
Molecular weight
199.25

Names & synonyms

4-(Benzylamino)phenol103-14-0Phenol, 4-[(phenylmethyl)amino]-p-benzylaminophenolp-(Benzylamino)phenol4-[(Phenylmethyl)amino]phenolN-Benzyl-p-aminophenolPhenol, 4-((phenylmethyl)amino)-EINECS 203-082-8BRN 1874039AI3-019314-(N-Benzylamino)phenol
Show more names
4-(Benzylamino)p-Benzylaminoethanolp-(benzylamino)-pheno4-n-benzylaminophenolp-(N-Benzylamino)phenolPhenol, p-(benzylamino)-
DTXSID8059269SRYYOKKLTBRLHT-UHFFFAOYSA-3-13-00-01027 (Beilstein Handbook Reference)4-[benzylamino]phenol4-((Phenylmethyl)amino)phenolRefChem:97344DTXCID8032756InChI=1/C13H13NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14-15H,10H2

Database identifiers

CAS
103-14-0
PubChem CID
7637
DTXSID
DTXSID8059269
EC Number
203-082-8
Nikkaji
J50.088G

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
32.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
15

Experimental & physicochemical properties

Physical DescriptionBrown solid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
83 °C · 83 °C
Boiling point
195 °C · 195 °C / 5mmHg
Density
1.0671 · 1.0671 (rough estimate)
refractive index
1.55 · 1.5500 (estimate)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
pka
11 · 11.00±0.26(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 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

Hazards SummaryMay cause irritation; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (20%)；Eye Irrit. 2 (20%)

Safety data

tsca
TSCA listed
rtecs
SJ7580000
hs_code
2922290090
Toxicity
LDLo orl-rat: 500 mg/kg JPETAB 90,260,47
risk_code
20/21/22
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhenol, 4-[(phenylmethyl)amino]-: INACTIVE

Applications

UsesIn cracked gasoline, in concentration of 0.001– 0.004% by weight to prevent gum formation.

Upstream & downstream products

Suppliers41 total

河北凡博医药科技有限公司15588346797
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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