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2-Nitrobenzamide

HCID 11876
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
610-15-1
표준 SMILES
NC(=O)c1ccccc1[N+](=O)[O-]
InChIKey
KLGQWSOYKYFBTR-UHFFFAOYSA-N
분자식
C7H6N2O3
평균 분자량
166.13 g/mol
단동위원소 질량
166.03784206

이름 및 식별자

우선 이름
2-Nitrobenzamide
IUPAC
2-nitrobenzamide
영어명
2-Nitrobenzamide
분자식
C7H6N2O3
분자량
166.13

이름 및 동의어

2-Nitrobenzamide610-15-1O-NITROBENZAMIDEDTXSID0025733DTXCID005733oNitrobenzamideBenzamide, onitroBenzamide, 2nitro2CarbamoylnitrobenzeneRefChem:477186Benzamide, 2nitro (9CI)210-208-5
이름 더 보기
NSC 4079952-nitro-benzamido-nitro-benzamidBenzmide, 2-nitro-Benzamide,2-nitro-TIMTEC-BB SBB0082392-Nitrobenzamide>
Benzamide, o-nitro-Benzamide, 2-nitro-2-CarbamoylnitrobenzeneMFCD00007976nitrobenzamide2-nitro-benzamidenitro-benzamideNSC407995

데이터베이스 식별자

CAS
610-15-1
PubChem CID
11876
DTXSID
DTXSID0025733
ChEMBL
CHEMBL1876019
EC Number
210-208-5
Nikkaji
J54.489B

물성

구조 계산 물성

XLogP
-0.1
극성 표면적
88.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
12
형식 전하
0
복잡도
199

실험 및 물리화학적 성질

Solubilityless than 0.1 mg/mL at 64 °F (NTP, 1992)
Boiling Point603 °F at 760 mmHg (NTP, 1992)
Melting Point349.9 °F (NTP, 1992)
Vapor Pressure0.00000809 [mmHg]
Physical Description · 2건

O-nitrobenzamide is a water solubility - <0.1 mg/mL at 64 °F. (NTP, 1992)

Partially soluble in water (1.62 g/L at 25 deg C); [ChemIDplus] Tan crystalline powder; Soluble in water; [MSDSonline]

물리화학적 성질

녹는점
174 · 174-178 °C (lit.)
끓는 점
317 °C · 317 °C (lit.)
밀도
1.384 · 1.384
굴절률
1.588 · 1.5880 (estimate)
인화점
317 °C · 317°C
저장 조건
Sealed in dry,Room Temperature
물리적 상태
powder to crystal
산도 계수 (pKa)
15.09 · 15.09±0.50(Predicted)
색상
White to Orange to Green

안전 및 규제

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

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.

유해성 정보

Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Hazards SummaryAn irritant; [MSDSonline]
Reactive GroupAmides and Imides;Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile · 1건

A nitrated amide. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

화학 및 산업

응용 분야 · 2건

용도2-Nitrobenzamide was used in the synthesis of novel fluorogenic chemosensors based on urea derivative of 2-(2′-aminophenyl)-4-phenylthiazole. It was also used in the synthesis of quinazoline-2,4(1H,3H)-diones, an important class of pharmaceutical intermediates.

일반 설명Water solubility - <0.1 mg/mL at 64°F.

상·하류 제품 정보

하류 제품

Methyl 2-nitrobenzoate2-에톡시벤즈아미드2-(2-클로로-아세틸아미노)-벤자미드3-부틸-2-메르캅토-3H-퀴나졸린-4-원

공급사54 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

관련 반응

19건
반응 기록 만들기
HRID 198674 반응식
HRID 198674반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 272586 반응식
HRID 272586반응물로uspto-grants-2008_11
HRID 324514 반응식
HRID 324514반응물로uspto-grants-2001_04
HRID 599823 반응식
HRID 599823반응물로uspto-grants-2011_03
HRID 619278 반응식
HRID 619278생성물로uspto-grants-1999_09
HRID 692987 반응식
HRID 692987반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 704319 반응식
HRID 704319반응물로uspto-grants-1991_01
HRID 1046777 반응식
HRID 1046777반응물로uspto-grants-2013_10
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이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
BRN
1950928 · 1950928
InChI
1S/C7H6N2O3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H,(H2,8,10)
InChIKey
KLGQWSOYKYFBTR-UHFFFAOYSA-N
SMILES
NC(=O)c1ccccc1[N+]([O-])=O
EPA
o-Nitrobenzamide (610-15-1)

화학적 성질

beige crystalline powder

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (20%);Acute Tox. 4 (20%)

안전 및 보호

Fire FightingFires involving this compound can be extinguished using 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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with methanol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with methanol to pick up any remaining material. Your contaminated clothing and the absorbent paper should be sealed in a vapor tight plastic bag for eventual disposal. Solvent-wash contaminated surfaces with methanol followed by washing with a strong 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.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

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)

안전 데이터

wgk
3
rtecs
CV5600000
HS 번호
29242998
safety_code
24/25
스토리지 클래스
11 - Combustible Solids
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