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P-아니시딘염산염

4-Anisidine hydrochloride

HCID 2734956
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
20265-97-8
표준 SMILES
COc1ccc(N)cc1.Cl
InChIKey
VQYJLACQFYZHCO-UHFFFAOYSA-N
분자식
C7H9NO.ClH
평균 분자량
159.61 g/mol
단동위원소 질량
159.0450916

개요

Grayish-black crystalline solid or brown crystals. (NTP, 1992)

이름 및 식별자

우선 이름
4-Anisidine hydrochloride
IUPAC
4-methoxyaniline;hydrochloride
현지명
P-아니시딘염산염
영어명
p-Anisidine hydrochloride
분자식
C7H10ClNO
분자량
159.61

이름 및 동의어

4-Anisidine hydrochlorideRefChem:8579844-Methoxyaniline hydrochloride20265-97-8p-Anisidine hydrochloridep-Anisidinium chloridep-Anisidine.HCl4-Methoxyaniline HClBenzenamine, 4-methoxy-, hydrochlorideBenzenamine, 4-methoxy-, hydrochloride (1:1)p-Anisidine monohydrochloridep-Methoxyaniline hydrochloride
이름 더 보기
P-아니시딘염산염P-ANISIDINE HCLTIMTEC-BB SBB007919p-MethoxyanilineHCl4-anisidinehydrochloridep-anisylaminehydrochlorideOmeprazole Impurity 28 HClP-AMINOANISOL HYDROCHLORIDE
MFCD000363884-METHOXYBENZENAMINE HYDROCHLORIDECCRIS 474-methoxyaniline;hydrochlorideDTXSID3020093NCI-C03758p-Anisidine, hydrochloridep-methoxyanilinium chloride

데이터베이스 식별자

CAS
20265-97-8
PubChem CID
2734956
DTXSID
DTXSID3020093
ChEMBL
CHEMBL1524474
UNII
7C4R75N8VG
EC Number
243-657-0

물성

구조 계산 물성

극성 표면적
35.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
10
형식 전하
0
복잡도
77

실험 및 물리화학적 성질

Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Melting Point457 °F (NTP, 1992)
Physical DescriptionGrayish-black crystalline solid or brown crystals. (NTP, 1992)

물리화학적 성질

녹는점
216 · 216-219 °C
저장 조건
30 °C · Store below +30°C.
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
결정성 분말
색상
황백색에서 분홍빛이 도는 회색 갈색까지
수용성
거의 투명하게
안정성
흡습성
InChI
1S/C7H9NO.ClH/c1-9-7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H
InChIKey
VQYJLACQFYZHCO-UHFFFAOYSA-N
SMILES
[Cl-].[N+H3]c1ccc(cc1)OC
EPA
p-Anisidine hydrochloride (20265-97-8)

화학적 성질

BROWN-GREY CRYSTALLINE POWDER

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Danger

H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

유해성 정보

Regulatory InformationChemical: Benzenamine, 4-methoxy-, hydrochloride
Other Safety InformationIMAP assessments - p-Anisidine and its hydrochloride: Human health tier II assessment
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes. (NTP, 1992)
Reactive GroupEthers
Reactivity Profile · 1건

An acidic organic salt. Materials in this group are generally soluble in water. The resulting solutions contain moderate concentrations of hydrogen ions and have pH's of less than 7.0. They react as acids to neutralize bases. These neutralizations generate heat, but less or far less than is generated by neutralization of inorganic acids, inorganic oxoacids, and carboxylic acid. They usually do not react as either oxidizing agents or reducing agents but such behavior is not impossible.

Air and Water ReactionsThis chemical may be sensitive to prolonged exposure to air and light. Insoluble in water.
Hazard Classes and Categories · 2건

Acute Tox. 4 (92.9%)

Acute toxicity (ingestion) - category 4

안전 및 보호

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

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 · 1건

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.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1건

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)

독성 정보

Carcinogen Classification · 6건

p-Anisidine hydrochloride

TR-116: Bioassay of p-Anisidine Hydrochloride for Possible Carcinogenicity (CASRN 20265-97-8) (1978 )

04/26/78

Equivocal Evidence

No Evidence

No Evidence

안전 데이터

wgk
WGK 3
tsca
TSCA listed
rtecs
BZ6600000
ridadr
2811
독성
mmo-sat 33 mg/plate ENMUDM 7(Suppl 5),1,85
HS 번호
29222900
risk_code
33-26/27/28
hazard_code
T+
safety_code
45-36/37/39-28A-1
포장분류
III
위험 등급
6.1
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스
11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 4-methoxy-, hydrochloride (1:1): ACTIVE

응용 분야

일반 설명Grayish-black crystalline solid or brown crystals.

상·하류 제품 정보

하류 제품

2-클로로-5-메톡시벤조익산N-(4-Methoxyphenyl)-N'-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)guanidine

관련 반응

4건
반응 기록 만들기
HRID 1702496 반응식
HRID 1702496반응물로uspto-grants-1983_04
HRID 1748486 반응식
HRID 1748486반응물로uspto-grants-2015_10
HRID 1756821 반응식
HRID 1756821반응물로uspto-grants-1995_08
HRID 1756822 반응식
HRID 1756822반응물로uspto-grants-1995_08

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