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Phenol, 2-amino-4-(methylsulfonyl)-

HCID 7382
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
98-30-6
Standard SMILES
CS(=O)(=O)c1ccc(O)c(N)c1
InChIKey
SFLMBHYNCSYPOO-UHFFFAOYSA-N
Molecular formula
C7H9NO3S
Average molar mass
187.22 g/mol
Monoisotopic mass
187.03031432

Overview

2-amino-4-(methylsulfonyl)phenol is a dark brown powder. (NTP, 1992)

Names & identifiers

Preferred name
Phenol, 2-amino-4-(methylsulfonyl)-
IUPAC
2-amino-4-methylsulfonylphenol
English name
2-Amino-4-(methylsulfonyl)phenol
Molecular formula
C7H9NO3S
Molecular weight
187.22

Names & synonyms

98-30-62-AMINO-4-(METHYLSULFONYL)PHENOL2-Amino-4-(methylsulphonyl)phenolCCRIS 5961Phenol, 2-amino-4-(methylsulfonyl)-EINECS 202-654-4DTXSID8024490RefChem:860827DTXCID904490202-654-44-Methylsulfonyl-2-aminophenol3-Amino-4-hydroxyphenyl Methyl Sulfone
Show more names
APMS2-amino-4-mesyl-phenol2-AMINOPHENOL-4-METHYLSULPHONE2-Amino-4-Methylsulfonyl Phenol2-azanyl-4-methylsulfonyl-phenolPhenol,2-aMino-4-(Methylsulfonyl)-2-Hydroxy-5-(methylsulfonyl)aniline
2-amino-4-methylsulfonylphenol2-amino-4-methanesulfonylphenolMFCD007194502-amino-4-methylsulfonyl-phenolEN300-786652-amino-4(methylsulfonyl)phenolSVT24HP8UUOprea1_483830

Database identifiers

CAS
98-30-6
PubChem CID
7382
DTXSID
DTXSID8024490

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
88.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
244

Experimental & physicochemical properties

Solubility1 to 5 mg/mL at 72 °F (NTP, 1992)
Melting Point189 to 190 °F (NTP, 1992)
Physical Description2-amino-4-(methylsulfonyl)phenol is a dark brown powder. (NTP, 1992)

Physicochemical properties

Melting point
156 to · 156.0 to 160.0 °C
Boiling point
436.3 · 436.3±45.0 °C(Predicted)
Density
1.419 · 1.419±0.06 g/cm3(Predicted)
storage temp.
2 · Storage temp. 2-8°C
pka
7.36 · 7.36±0.18(Predicted)
form
powder to crystal
color
White to Gray to Brown
InChI
InChI=1S/C7H9NO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3
InChIKey
SFLMBHYNCSYPOO-UHFFFAOYSA-N
SMILES

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationREACH registered substance: 2-amino-4-(methylsulphonyl)phenol (EC: 202-654-4)
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Reactive GroupPhenols and Cresols
Reactivity Profile · 1 item

An aromatic amine and phenol. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Phenols do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has pKa = 9.88). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid.

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhenol, 2-amino-4-(methylsulfonyl)-: ACTIVE

Applications

General DescriptionDark brown powder.

Upstream & downstream products

Downstream products

Acid violet 78 (C.I. 12205)Acid black 58

Suppliers65 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [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]
安耐吉化学&3A(安徽泽升科技股份有限公司)

Related reactions

5 records
New reaction record
HRID 196246 reaction equation
HRID 196246As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 255265 reaction equation
HRID 255265As reactantuspto-grants-2011_01
HRID 255266 reaction equation
HRID 255266As productuspto-grants-2011_01
HRID 1644384 reaction equation
HRID 1644384As reactantuspto-grants-2012_02
HRID 1644385 reaction equation
HRID 1644385As productuspto-grants-2012_02

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
UNII
SVT24HP8UU
EC Number
202-654-4
Nikkaji
J64.466H
C1(O)=CC=C(S(C)(=O)=O)C=C1N
FDA UNII
24 HP8UU · SVT24HP8UU
EPA Substance Registry System
2 · 2-Amino-4-(methylsulfonyl)phenol (98-30-6)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319
Precautionary statements
264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
TSCA
TSCA listed
HS Code
2930909899 · 2930909899
REACH Registrations
Active
Air and Water ReactionsSlightly soluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Safety data

tsca
TSCA listed
hs_code
2930909899
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319
REACH Registrations
Active
Precautionary statements
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
400-0056266 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected];[email protected];[email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
Hebei Yaoxiao New Materials Technology Co., Ltd.+86-19543918292 +86-19543918292 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海珈得尔化学技术有限公司13564435016 13564435016 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
南京药石科技股份有限公司4000255188 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
上海源叶生物科技有限公司18916372613 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
上海巍涛化工有限公司02150630626 17717886015 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
Capot Chemical Co.,Ltd.+86-(0)57185586718 +86-13336195806 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
浙江寿尔福化工贸易有限公司0571-88906230 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]