p-니트로벤조일클로라이드

4-Nitrobenzoyl chloride

HCID 8502CAS 122-04-3

기본 정보

표준 SMILES
O=C(Cl)c1ccc([N+](=O)[O-])cc1
InChIKey
SKDHHIUENRGTHK-UHFFFAOYSA-N
분자식
C7H4ClNO3
평균 분자량
185.56 g/mol
단동위원소 질량
184.98797067

개요

P-nitrobenzoyl chloride appears as yellow needles or powder with a pungent odor. (NTP, 1992)

이름 및 식별자

우선 이름
4-Nitrobenzoyl chloride
IUPAC
4-nitrobenzoyl chloride
현지명
p-니트로벤조일클로라이드
영어명
4-Nitrobenzoyl chloride
분자식
C7H4ClNO3
분자량
185.56

이름 및 동의어

4-Nitrobenzoyl chloride122-04-3P-NITROBENZOYL CHLORIDEBenzoyl chloride, 4-nitro-4-Nitrobenzoic acid chloridep-Nitrobenzoic acid chlorideBenzoyl chloride, p-nitro-DTXSID9025742X3H8PW2GC4NSC-5381DTXCID905742RefChem:525932
이름 더 보기
P-나이트로벤조일염화물p-니트로벤조일클로라이드P-나이트로벤조일염화물4-나이트로벤조일 클로라이드PNBC4-NitrobenzoylSKL7484-Nitrobenzoyl chlorp-Nitrobenzoyl chloriLABOTEST-BB LT000772604-nitro-benzoylchloridp-nitro-benzoylchloridNITROBENZOYL-4 CHLORIDE
204-517-44-Nitro-benzoyl chlorideMFCD00007345para-nitrobenzoyl chlorideNitrobenzoyl chloride, 4-4-Nitrobenzoyl-d4ChlorideCCRIS 31364-nitro benzoyl chloride

데이터베이스 식별자

CAS
122-04-3
PubChem CID
8502
DTXSID
DTXSID9025742
ChEMBL
CHEMBL1599838
UNII
X3H8PW2GC4
EC Number
204-517-4
Nikkaji
J47.843A

물성

구조 계산 물성

XLogP
2.9
극성 표면적
62.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
12

실험 및 물리화학적 성질

Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesChemical shift
SolubilityDecomposes (NTP, 1992)
Boiling Point396 to 401 °F at 105 mmHg (NTP, 1992)
Melting Point167 °F (NTP, 1992)
Physical Description · 2건

P-nitrobenzoyl chloride appears as yellow needles or powder with a pungent odor. (NTP, 1992)

Bright yellow solid with pungent odor; [Merck Index] Yellow crystalline solid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
71 · 71-74 °C (lit.)
끓는 점
202 · 202-205 °C/105 mmHg (lit.)
밀도
1.53 · 1.53
굴절률
1.589 · 1.5890 (estimate)
인화점
102 °C · 102 °C
저장 조건
30 °C · Store below +30°C.

화학적 성질

yellow needles or powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 137 reports by companies from 9 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: Benzoyl chloride, 4-nitro-

Benzoyl chloride, 4-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoyl chloride, 4-nitro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 26-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/16497

4-Nitrobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire HazardsFlash point data are not available for this chemical, but it is combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Hazards Summary · 1건

Causes ataxia and muscle contraction or spasticity in oral lethal-dose studies of mice, rabbits, and rats; Causes other changes in lungs, thorax, or respiration, pigmented or nucleated red blood cells, and changes in the spleen in 17-week intermittent inhalation studies (species not specified); Causes other changes in blood in 30-day intermittent oral studies of rats; [RTECS] Decomposed by water; [Merck Index] Reacts with water; [CAMEO] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Nitrobenzene and Benzoyl chloride.

Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

안전 및 보호

Fire FightingFires involving this compound should 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: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
DM6651000
ridadr
UN 3261 8/PG 2
독성
LD50 orally in Rabbit: 5600 mg/kg
HS 번호
29163900

화학 및 산업

용도 및 제조

UsesUsed as an intermediate for dye stuffs and other chemicals; [NTP]
U.S. Production2023: <50,000 lb
General Manufacturing InformationBenzoyl chloride, 4-nitro-: ACTIVE

응용 분야

용도4-Nitrobenzoyl Chloride is used inorganic syntheses such as Michael additions. Also used in the synthesis of polysubstituted furanonaphthoquinoines.

일반 설명Yellow needles or powder with a pungent odor.

공급사48 곳

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州鼎燕化工有限公司13588754826 13588754826 · [email protected]
济南万多鑫化工有限公司0531-88770993 13905318421 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]

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